Hello:
I have installed GMX4.6.1 and GMX4.5.5 on the same cluster. There are
2 Xoen E5 2630CPU in one node on this cluster. I tested the performance of
those two versions of GMX, found GMX4.6.1 only had 0.62 performance of
GMX4.5.5.
When I checked the .log file of GMX4.6.1, I found
...
CPU acceleration: NONE
FFT library: FFTW 3.2 wrappers to MKL
Large file support: enabled
RDTSCP usage: disabled
Built on: Mon Apr 8 10:46:58 CST 2013
Built by: root@node3 [CMAKE]
Build OS/arch: Linux 2.6.18-274.el5 x86_64
Build CPU vendor: Unknown, detect failed
Build CPU brand: Unknown, detect failed
Build CPU family: 0 Model: 0 Stepping: 0
Build CPU features:
C compiler: /public/software/mpi/openmpi-16-intel/bin/mpicc Intel
icc (ICC) 12.1.0 20111011
C compiler flags: -std=gnu99 -Wall -ip -funroll-all-loops -O3
-DNDEBUG
So I think my installed GMX4.6.1 failed to use AVX_256 kenerl. The
installed commend is below. Could someone give some suggestion how to solve
this problem? Thank you very much!
*$cmake ../ \*
*-DCMAKE_INSTALL_PREFIX=/public/software/gromacs-4.6 \*
*-DGMX_MPI=ON \*
*-DCMAKE_C_COMPILER=/public/software/mpi/openmpi-16-intel/bin/mpicc \*
*-DCMAKE_CXX_COMPILER=/public/software/mpi/openmpi-16-intel/bin/mpicxx \*
* -DGMX_BINARY_SUFFIX=_mpi \*
*-DFFTWF_INCLUDE_DIR=/public/software/mathlib/fftw331-float/include \*
*-DFFTWF_LIBRARY=/public/software/mathlib/fftw331-float/lib/libfftw3f.so *
*$make –j 6*
*$make install*
Cheers up
--
Yukun Wang
PhD candidate
Institute of Natural Sciences && College of Life Science, Shanghai Jiao
Tong University
Cell phone: 13621806236.
China Shanghai
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
