I have been trying to compile Quantum Espresso for use on this system: Intel i9-14900 (24 core) Linux Mint 22.1 Cinnamon version 6.4.6 Nvidia GeForce RTX 4070
with: nvhpc_2024_2411_Linux_x86_64_cuda_12.6The prerequisite gcc has been tested before installing nvhpc as specified in $1.1 of the nvidia hpc-sdk installation guide (https://docs.nvidia.com/hpc-sdk/archive/20.9/pdf/hpc209install.pdf).
The hpc-sdk specification is now said to include cuda and openmpi, so I have used only the one installation step at the top level of the nvhpc distribution (adding independent cuda or openmpi installations now seems to create havoc, though these may have been required in earlier versions of the hpc-sdk).
After installation of the nvhpc, nvaccelinfo produces the following output. Does this demonstrate that a "proper parallel environment" can be detected, as mentioned in the QE Guide?
"CUDA Driver Version: 12040NVRM version: NVIDIA UNIX x86_64 Kernel Module 550.120 Fri Sep 13 10:10:01 UTC 2024
Device Number: 0 Device Name: NVIDIA GeForce RTX 4070 Device Revision Number: 8.9 Global Memory Size: 12584878080 Number of Multiprocessors: 46 Concurrent Copy and Execution: Yes Total Constant Memory: 65536 Total Shared Memory per Block: 49152 Registers per Block: 65536 Warp Size: 32 Maximum Threads per Block: 1024 Maximum Block Dimensions: 1024, 1024, 64 Maximum Grid Dimensions: 2147483647 x 65535 x 65535 Maximum Memory Pitch: 2147483647B Texture Alignment: 512B Clock Rate: 2520 MHz Execution Timeout: Yes Integrated Device: No Can Map Host Memory: Yes Compute Mode: default Concurrent Kernels: Yes ECC Enabled: No Memory Clock Rate: 10501 MHz Memory Bus Width: 192 bits L2 Cache Size: 37748736 bytes Max Threads Per SMP: 1536 Async Engines: 2 Unified Addressing: Yes Managed Memory: Yes Concurrent Managed Memory: Yes Preemption Supported: Yes Cooperative Launch: Yes Unified Memory: No Memory Models Flags: -gpu=mem:separate, -gpu=mem:managed Default Target: cc89 "After the installation of nvhpc, I have tried both the default .configure, and also a bash script of QE-7.3.1 (see attached), setting the environment variables specified in $2.4 of the QE Users' Guide, and nvhpc.
Both produce config.log files which reveal problems in finding various components - the Guide warns that this might occur. I have trawled many websites for a solution but have not resolved this problem. I have tried some variants of the above, which have led to apparently successful configuration runs, but 'make' subsequently fails.
It is pretty obvious that I am completely inexpert at this, and would greatly appreciate advice if anyone can spot what I am doing incorrectly.
Richard Phillips, Cavendish Lab. UK
This file contains any messages produced by compilers while
running configure, to aid debugging if configure makes a mistake.
It was created by ESPRESSO configure 7.3.1, which was
generated by GNU Autoconf 2.69. Invocation command line was
$ /home/rtp/qe-7.3.1/install/configure --enable-openmp --with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/12.6 --with-cuda-cc=89 --with-cuda-runtime=12.6 --enable-parallel --with-cuda-mpi=yes
## --------- ##
## Platform. ##
## --------- ##
hostname = RTP-DSK2-LX
uname -m = x86_64
uname -r = 6.8.0-52-generic
uname -s = Linux
uname -v = #53-Ubuntu SMP PREEMPT_DYNAMIC Sat Jan 11 00:06:25 UTC 2025
/usr/bin/uname -p = x86_64
/bin/uname -X = unknown
/bin/arch = x86_64
/usr/bin/arch -k = unknown
/usr/convex/getsysinfo = unknown
/usr/bin/hostinfo = unknown
/bin/machine = unknown
/usr/bin/oslevel = unknown
/bin/universe = unknown
PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/bin
PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/bin
PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/bin
PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/bin
PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/bin
PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/bin
PATH: /usr/local/sbin
PATH: /usr/local/bin
PATH: /usr/sbin
PATH: /usr/bin
PATH: /sbin
PATH: /bin
PATH: /usr/games
PATH: /usr/local/games
PATH: /snap/bin
## ----------- ##
## Core tests. ##
## ----------- ##
configure:2183: checking build system type
configure:2197: result: x86_64-pc-linux-gnu
configure:2221: checking ARCH
configure:2275: result: x86_64
configure:2295: checking setting AR...
configure:2301: result: ar
configure:2306: checking setting ARFLAGS...
configure:2312: result: ruv
configure:2447: checking for Fortran compiler version
configure:2456: nvfortran --version >&5
nvfortran 24.11-0 64-bit target on x86-64 Linux -tp alderlake
NVIDIA Compilers and Tools
Copyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
configure:2467: $? = 0
configure:2456: nvfortran -v >&5
Export NVCOMPILER=/opt/nvidia/hpc_sdk/Linux_x86_64/24.11
Export PGI=/opt/nvidia/hpc_sdk
nvfortran-Warning-No files to process
configure:2467: $? = 0
configure:2456: nvfortran -V >&5
nvfortran 24.11-0 64-bit target on x86-64 Linux -tp alderlake
NVIDIA Compilers and Tools
Copyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
configure:2467: $? = 0
configure:2456: nvfortran -qversion >&5
nvfortran-Error-Unknown switch: -qversion
configure:2467: $? = 1
configure:2482: checking whether the Fortran compiler works
configure:2504: nvfortran conftest.f >&5
configure:2508: $? = 0
configure:2556: result: yes
configure:2559: checking for Fortran compiler default output file name
configure:2561: result: a.out
configure:2567: checking for suffix of executables
configure:2574: nvfortran -o conftest conftest.f >&5
configure:2578: $? = 0
configure:2600: result:
configure:2616: checking whether we are cross compiling
configure:2624: nvfortran -o conftest conftest.f >&5
configure:2628: $? = 0
configure:2635: ./conftest
configure:2639: $? = 0
configure:2654: result: no
configure:2659: checking for suffix of object files
configure:2675: nvfortran -c conftest.f >&5
configure:2679: $? = 0
configure:2700: result: o
configure:2708: checking whether we are using the GNU Fortran compiler
configure:2721: nvfortran -c conftest.F >&5
NVFORTRAN-S-0034-Syntax error at or near end of line (conftest.F: 3)
0 inform, 0 warnings, 1 severes, 0 fatal for main
configure:2721: $? = 2
configure: failed program was:
| program main
| #ifndef __GNUC__
| choke me
| #endif
|
| end
configure:2730: result: no
configure:2736: checking whether nvfortran accepts -g
configure:2747: nvfortran -c -g conftest.f >&5
configure:2747: $? = 0
configure:2755: result: yes
configure:2788: checking for Fortran flag to compile .f90 files
configure:2808: nvfortran -c -g conftest.f90 >&5
configure:2808: $? = 0
configure:2817: result: none
configure:2998: checking for mpif90
configure:3014: found /opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/bin/mpif90
configure:3025: result: mpif90
configure:3051: checking for Fortran compiler version
configure:3060: mpif90 --version >&5
nvfortran 24.11-0 64-bit target on x86-64 Linux -tp alderlake
NVIDIA Compilers and Tools
Copyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
configure:3071: $? = 0
configure:3060: mpif90 -v >&5
Export NVCOMPILER=/opt/nvidia/hpc_sdk/Linux_x86_64/24.11
Export PGI=/opt/nvidia/hpc_sdk
nvfortran-Warning-No files to process
configure:3071: $? = 0
configure:3060: mpif90 -V >&5
nvfortran 24.11-0 64-bit target on x86-64 Linux -tp alderlake
NVIDIA Compilers and Tools
Copyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
configure:3071: $? = 0
configure:3060: mpif90 -qversion >&5
nvfortran-Error-Unknown switch: -qversion
configure:3071: $? = 1
configure:3080: checking whether we are using the GNU Fortran compiler
configure:3093: mpif90 -c -g conftest.F >&5
NVFORTRAN-S-0034-Syntax error at or near end of line (conftest.F: 3)
0 inform, 0 warnings, 1 severes, 0 fatal for main
configure:3093: $? = 2
configure: failed program was:
| program main
| #ifndef __GNUC__
| choke me
| #endif
|
| end
configure:3102: result: no
configure:3108: checking whether mpif90 accepts -g
configure:3119: mpif90 -c -g conftest.f90 >&5
configure:3119: $? = 0
configure:3127: result: yes
configure:3279: WARNING: Check whether user-supplied F90 is consistent with MPIF90 !!!
configure:3435: checking for C compiler version
configure:3444: nvc --version >&5
nvc 24.11-0 64-bit target on x86-64 Linux -tp alderlake
NVIDIA Compilers and Tools
Copyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
configure:3455: $? = 0
configure:3444: nvc -v >&5
Export NVCOMPILER=/opt/nvidia/hpc_sdk/Linux_x86_64/24.11
Export PGI=/opt/nvidia/hpc_sdk
nvc-Warning-No files to process
configure:3455: $? = 0
configure:3444: nvc -V >&5
nvc 24.11-0 64-bit target on x86-64 Linux -tp alderlake
NVIDIA Compilers and Tools
Copyright (c) 2024, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
configure:3455: $? = 0
configure:3444: nvc -qversion >&5
nvc-Error-Unknown switch: -qversion
configure:3455: $? = 1
configure:3459: checking whether we are using the GNU C compiler
configure:3478: nvc -c conftest.c >&5
configure:3478: $? = 0
configure:3487: result: yes
configure:3496: checking whether nvc accepts -g
configure:3516: nvc -c -g conftest.c >&5
configure:3516: $? = 0
configure:3557: result: yes
configure:3574: checking for nvc option to accept ISO C89
configure:3637: nvc -c -g -O2 conftest.c >&5
"conftest.c", line 56: warning: statement is unreachable [code_is_unreachable]
return 0;
^
Remark: individual warnings can be suppressed with "--diag_suppress <warning-name>"
configure:3637: $? = 0
configure:3650: result: none needed
configure:4147: checking whether Fortran compiler accepts -cuda -gpu=cuda12.6
configure:4158: mpif90 -c -g -cuda -gpu=cuda12.6 conftest.f90 >&5
configure:4158: $? = 0
configure:4167: result: yes
configure:4233: checking whether make sets $(MAKE)
configure:4255: result: yes
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranay4camdr41HB.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/intel/mkl/lib/intel64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranw24cc6xdxmjo.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranQu5c_xP8NUnG.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran4Y5cOy0wXcXU.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran4q6cOm3DYiW_.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranXU6ct28Fj-i8.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranJm7cPPAxQXRT.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranJQ7cPTqhQp2K.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:4432: checking for library containing dgemm
configure:4450: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranJi8cPbCIM9oS.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:4450: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:4467: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5034: checking for library containing dgemm
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -latlas >&5
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5052: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -lf77blas -lg2c -latlas >&5
/usr/bin/ld: cannot find -lf77blas: No such file or directory
/usr/bin/ld: cannot find -lg2c: No such file or directory
/usr/bin/ld: cannot find -latlas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5052: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5069: result: no
configure:5101: checking for library containing dgemm
configure:5119: mpif90 -o conftest -g -mp conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranoWedQBNbg-tR.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dgemm_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5119: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5119: mpif90 -o conftest -g -mp conftest.f90 -lblas-3 >&5
/usr/bin/ld: cannot find -lblas-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5119: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5119: mpif90 -o conftest -g -mp conftest.f90 -lopenblas >&5
/usr/bin/ld: cannot find -lopenblas: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5119: $? = 2
configure: failed program was:
| program main
| call dgemm
| end
configure:5119: mpif90 -o conftest -g -mp conftest.f90 -lblas >&5
configure:5119: $? = 0
configure:5136: result: -lblas
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranhHgdv9wcXU0d.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranJZhdPImb5WXN.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranDfjdxNN6CNsw.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranpxkdT2oSxdYK.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranKPldS12Ju8Oe.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranK7mdSn3UuGcU.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranwnodcbfaR5hE.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranwFpdc9Eq-xkO.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5273: checking for library containing dspev
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -lblas >&5
/usr/bin/ld: /tmp/nvfortranpXqdTUZnEVX_.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dspev_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -llapack-3 -lblas >&5
/usr/bin/ld: cannot find -llapack-3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5291: $? = 2
configure: failed program was:
| program main
| call dspev
| end
configure:5291: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -llapack -lblas >&5
configure:5291: $? = 0
configure:5308: result: -llapack
configure:5355: checking FFT
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranvdsd-5tKfSvY.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranv9sd-jZDf0v-.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranX3tdtR9zcmi1.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranXXudtxxFcEA_.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/usr/local/lib conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranaRvdaRjkDcuF.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranaMwdaRk1Dcrj.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/extras/qd/lib conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranYGxdw_Q9l46C.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranYAydwgkOl0T6.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/cuda/lib64 conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranYuzdwgnAi0k8.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranYpAdww-IiSYN.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/compilers/lib conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranRjBdbmzrZPpY.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranRdCdbiBUZBiB.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/math_libs/lib64 conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran59CdRupGqT7G.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran53DdRSInqzXS.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/mpi/lib conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran5XEdRyhCq3tA.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran5RFdRCmJqHpq.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nccl/lib conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5568: checking for library containing dfftw_execute_dft
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran5LGdRuDACnbo.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5586: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -lfftw3_omp -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5586: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5603: result: no
configure:5615: checking for library containing dfftw_execute_dft
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortranYFHdwU4BFqei.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `dfftw_execute_dft_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5633: mpif90 -o conftest -g -mp -L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib conftest.f90 -lfftw3_omp -lfftw3 -lm >&5
/usr/bin/ld: cannot find -lfftw3_omp: No such file or directory
/usr/bin/ld: cannot find -lfftw3: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:5633: $? = 2
configure: failed program was:
| program main
| call dfftw_execute_dft
| end
configure:5650: result: no
configure:5759: result:
configure:5955: checking MASS
configure:6192: result:
configure:6223: checking for library containing mpi_init
configure:6241: mpif90 -o conftest -g -mp conftest.f90 >&5
configure:6241: $? = 0
configure:6258: result: none required
configure:6338: checking for library containing pdgemr2d
configure:6356: mpif90 -o conftest -g -mp conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran45IdOP2AaTEB.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `pdgemr2d_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:6356: $? = 2
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6356: mpif90 -o conftest -g -mp conftest.f90 >&5
/usr/bin/ld: /tmp/nvfortran4vJdOrUNaXYl.o: in function `MAIN_':
/home/rtp/qe-7.3.1/install/conftest.f90:2:(.text+0x18): undefined reference to `pdgemr2d_'
pgacclnk: child process exit status 1: /usr/bin/ld
configure:6356: $? = 2
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6373: result: no
configure:6445: checking for library containing pdgemr2d
configure:6463: mpif90 -o conftest -g -mp conftest.f90 -lsci >&5
/usr/bin/ld: cannot find -lsci: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:6463: $? = 2
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6463: mpif90 -o conftest -g -mp conftest.f90 -lsci >&5
/usr/bin/ld: cannot find -lsci: No such file or directory
pgacclnk: child process exit status 1: /usr/bin/ld
configure:6463: $? = 2
configure: failed program was:
| program main
| call pdgemr2d
| end
configure:6480: result: no
configure:6495: checking for library containing pdgemr2d
configure:6513: mpif90 -o conftest -g conftest.f90 -lscalapack >&5
configure:6513: $? = 0
configure:6530: result: none required
configure:6686: checking ELPA
configure:6762: result:
configure:7269: checking for Environ
configure:7295: result: not used
configure:7315: result: checking if legacy plugins are enabled ... no
configure:7373: checking for ranlib
configure:7389: found /usr/bin/ranlib
configure:7401: result: ranlib
configure:7427: checking for wget
configure:7443: found /usr/bin/wget
configure:7454: result: wget -O
configure:7513: checking for git
configure:7529: found /usr/bin/git
configure:7540: result: git
configure:7747: creating ./config.status
## ---------------------- ##
## Running config.status. ##
## ---------------------- ##
This file was extended by ESPRESSO config.status 7.3.1, which was
generated by GNU Autoconf 2.69. Invocation command line was
CONFIG_FILES =
CONFIG_HEADERS =
CONFIG_LINKS =
CONFIG_COMMANDS =
$ ./config.status
on RTP-DSK2-LX
config.status:779: error: cannot find input file: `install/make_lapack.inc.in'
## ---------------- ##
## Cache variables. ##
## ---------------- ##
ac_cv_build=x86_64-pc-linux-gnu
ac_cv_c_compiler_gnu=yes
ac_cv_env_CC_set=set
ac_cv_env_CC_value=nvc
ac_cv_env_CFLAGS_set=
ac_cv_env_CFLAGS_value=
ac_cv_env_CPPFLAGS_set=
ac_cv_env_CPPFLAGS_value=
ac_cv_env_EXTLIB_FLAGS_set=
ac_cv_env_EXTLIB_FLAGS_value=
ac_cv_env_FCFLAGS_set=
ac_cv_env_FCFLAGS_value=
ac_cv_env_FC_set=set
ac_cv_env_FC_value=nvfortran
ac_cv_env_LDFLAGS_set=
ac_cv_env_LDFLAGS_value=
ac_cv_env_LIBS_set=
ac_cv_env_LIBS_value=
ac_cv_env_build_alias_set=
ac_cv_env_build_alias_value=
ac_cv_env_host_alias_set=
ac_cv_env_host_alias_value=
ac_cv_env_target_alias_set=
ac_cv_env_target_alias_value=
ac_cv_fc_compiler_gnu=no
ac_cv_fc_srcext_f90=none
ac_cv_objext=o
ac_cv_prog_ac_ct_FC=mpif90
ac_cv_prog_cc_c89=
ac_cv_prog_cc_g=yes
ac_cv_prog_fc_g=yes
ac_cv_prog_git=git
ac_cv_prog_make_make_set=yes
ac_cv_prog_ranlib=ranlib
ac_cv_prog_wget='wget -O'
ac_cv_search_dfftw_execute_dft=no
ac_cv_search_dgemm=-lblas
ac_cv_search_dspev=-llapack
ac_cv_search_mpi_init='none required'
ac_cv_search_pdgemr2d='none required'
ax_cv_check_fcflags___cuda__gpu_cuda12_6=yes
## ----------------- ##
## Output variables. ##
## ----------------- ##
CC='nvc'
CFLAGS='-O3'
CPPFLAGS='-O3'
Configured for compilation of parallel executables.'
DEFS='-DPACKAGE_NAME=\"ESPRESSO\" -DPACKAGE_TARNAME=\"espresso\" -DPACKAGE_VERSION=\"7.3.1\" -DPACKAGE_STRING=\"ESPRESSO\ 7.3.1\" -DPACKAGE_BUGREPORT=\"\" -DPACKAGE_URL=\"\"'
ECHO_C=''
ECHO_N='-n'
ECHO_T=''
EXEEXT=''
EXTLIB_FLAGS=''
FC='mpif90'
FCFLAGS='-g'
FCFLAGS_f90=''
LDFLAGS=''
LIBOBJS=''
LIBS=' -lscalapack'
LIBS_LIBXC=''
LTLIBOBJS=''
OBJEXT='o'
PACKAGE_BUGREPORT=''
PACKAGE_NAME='ESPRESSO'
PACKAGE_STRING='ESPRESSO 7.3.1'
PACKAGE_TARNAME='espresso'
PACKAGE_URL=''
PACKAGE_VERSION='7.3.1'
PATH_SEPARATOR=':'
SET_MAKE=''
SHELL='/bin/bash'
ac_ct_CC=''
ac_ct_FC='mpif90'
ar='ar'
arch='x86_64'
arflags='ruv'
bindir='${exec_prefix}/bin'
blas_libs=' -lblas '
blas_line='BLAS_LIBS= -lblas '
build='x86_64-pc-linux-gnu'
build_alias=''
build_cpu='x86_64'
build_os='linux-gnu'
build_vendor='pc'
cc='nvc'
cflags='-O3'
cpp='cpp'
cppflags='-P -traditional -Uvector'
cuda_cflags=' -gpu=cc89,cuda12.6 -acc'
cuda_extlibs='devxlib'
cuda_fflags='-cuda -gpu=cc89,cuda12.6 $(MOD_FLAG)$(TOPDIR)/external/devxlib/src $(MOD_FLAG)$(TOPDIR)/external/devxlib/include -acc'
cuda_libs='-cudalib=cufft,cublas,cusolver,curand $(TOPDIR)/external/devxlib/src/libdevXlib.a'
cuda_runtime='12.6'
datadir='${datarootdir}'
datarootdir='${prefix}/share'
dflags=' -D__PGI -D__CUDA -D__GPU_MPI -D__FFTW -D__MPI -D__SCALAPACK'
docdir='${datarootdir}/doc/${PACKAGE_TARNAME}'
dvidir='${docdir}'
elpa_libs=''
elpa_line='@delete@'
environ_libs=''
exec_prefix='${prefix}'
extfox=''
extlib_flags=''
f90='mpif90'
f90flags='-fast -Mcache_align -Mpreprocess -Mlarge_arrays -mp'
f90rule='$(MPIF90) $(F90FLAGS) -c $<'
fdflags='$(DFLAGS) $(MANUAL_DFLAGS)'
fflags='-fast -mp'
fflags_nomain='-Mnomain'
fflags_noopt='-O0'
fft_libs=''
fft_line='FFT_LIBS='
foxflags='-fast -Mcache_align -Mpreprocess -Mlarge_arrays'
foxlibs=''
foxmods=''
git='git'
gpu_arch='89'
hdf5_libs=''
hdf5_line=''
host_alias=''
htmldir='${docdir}'
iflags='-I. -I$(TOPDIR)/include'
imod='-I'
includedir='${prefix}/include'
infodir='${datarootdir}/info'
lapack_libs='-L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib -llapack -lblas '
lapack_line='LAPACK_LIBS=-L/opt/nvidia/hpc_sdk/Linux_x86_64/24.11/comm_libs/nvshmem/lib -llapack -lblas '
lapack_target=''
ld='mpif90'
ld_libs=''
ldflags=' -mp -cuda -gpu=cc89,cuda12.6 -acc'
libdir='${exec_prefix}/lib'
libexecdir='${exec_prefix}/libexec'
libxc_line=''
localedir='${datarootdir}/locale'
localstatedir='${prefix}/var'
mandir='${datarootdir}/man'
mass_libs=''
mass_line='@delete@'
mpi_libs=''
mpi_line='@delete@'
mpif90='mpif90'
oldincludedir='/usr/include'
parallel_report='Parallel environment detected successfully.\
pdfdir='${docdir}'
pre_fdflags=''
prefix='/usr/local'
program_transform_name='s,x,x,'
psdir='${docdir}'
ranlib='ranlib'
runstatedir='${localstatedir}/run'
sbindir='${exec_prefix}/sbin'
scalapack_libs='-lscalapack'
scalapack_line='SCALAPACK_LIBS=-lscalapack'
sharedstatedir='${prefix}/com'
sysconfdir='${prefix}/etc'
target_alias=''
topdir='/home/rtp/qe-7.3.1/install'
wget='wget -O'
## ----------- ##
## confdefs.h. ##
## ----------- ##
/* confdefs.h */
#define PACKAGE_NAME "ESPRESSO"
#define PACKAGE_TARNAME "espresso"
#define PACKAGE_VERSION "7.3.1"
#define PACKAGE_STRING "ESPRESSO 7.3.1"
#define PACKAGE_BUGREPORT ""
#define PACKAGE_URL ""
configure: exit 1
OC2.sh
Description: application/shellscript
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
