Good to know. This suggests that building VASP properly with Open
MPI should work properly; perhaps there's some secret sauce in the
Makefile somewhere...? Off list, someone cited the following to me:
-
Also VASP has a forum for things like this too.
http://cms.mpi.univie.ac.at/vasp-for
I have previously been running parallel VASP happily with an old,
prerelease version of OpenMPI:
[terry@nocona Vasp.4.6-OpenMPI]$
head /home/terry/Install_trees/OpenMPI-1.0rc6/config.log
This file contains any messages produced by compilers while
running configure, to aid debugging if configure
Thank Jeff very much for your efforts and helps.
On 5/9/07, Jeff Squyres wrote:
I have mailed the VASP maintainer asking for a copy of the code.
Let's see what happens.
On May 9, 2007, at 2:44 PM, Steven Truong wrote:
> Hi, Jeff. Thank you very much for looking into this issue. I am
> afr
I have mailed the VASP maintainer asking for a copy of the code.
Let's see what happens.
On May 9, 2007, at 2:44 PM, Steven Truong wrote:
Hi, Jeff. Thank you very much for looking into this issue. I am
afraid that I can not give you the application/package because it is a
comercial softw
Hi, Jeff. Thank you very much for looking into this issue. I am
afraid that I can not give you the application/package because it is a
comercial software. I believe that a lot of people are using this
VASP software package http://cms.mpi.univie.ac.at/vasp/.
My current environment uses MPICH
Can you send a simple test that reproduces these errors?
I.e., if there's a single, simple package that you can send
instructions on how to build, it would be most helpful if we could
reproduce the error (and therefore figure out how to fix it).
Thanks!
On May 9, 2007, at 2:19 PM, Steven
Oh, no. I tried with ACML and had the same set of errors.
Steven.
On 5/9/07, Steven Truong wrote:
Hi, Kevin and all. I tried with the following:
./configure --prefix=/usr/local/openmpi-1.2.1 --disable-ipv6
--with-tm=/usr/local/pbs --enable-mpirun-prefix-by-default
--enable-mpi-f90 --with-t
Hi, Kevin and all. I tried with the following:
./configure --prefix=/usr/local/openmpi-1.2.1 --disable-ipv6
--with-tm=/usr/local/pbs --enable-mpirun-prefix-by-default
--enable-mpi-f90 --with-threads=posix --enable-static
and added the mpi.o in my VASP's makefile but i still got error.
I forg
Thank Kevin and Brook for replying to my question. I am going to try
out what Kevin suggested.
Steven.
On 5/9/07, Kevin Radican wrote:
Hi,
We use VASP 4.6 in parallel with opemmpi 1.1.2 without any problems on
x86_64 with opensuse and compiled with gcc and Intel fortran and use
torque PBS.
Hi,
We use VASP 4.6 in parallel with opemmpi 1.1.2 without any problems on
x86_64 with opensuse and compiled with gcc and Intel fortran and use
torque PBS.
I used standard configure to build openmpi something like
./configure --prefix=/usr/local --enable-static --with-threads
--with-tm=/usr/loc
Steven,
We run vasp on both Linux (PGI compilers) and Max OSX (xlf) I am sad
to announce that VASP does not work with openMPI last I tried
(1.1.1) With the errors you reported are the same I saw. VASP for
the time (version 4) Works only with Lam and MPICH-1.
If you have insight into th
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