Arneh Babakhani wrote:
Hi Francisco, was wondering if you ever resolved this issue? I too am
trying to install gromacs mpi on our cluster, but have had no luck. I
get the following error in the configure step:
[EMAIL PROTECTED] gromacs-3.3.1]$ ./configure --enable-mpi
Hi Francisco
If you intalled gromacs-mpi directly, then try to use just mdrun instead
of mdrun_mpi. Normally you only have a mdrun_mpi if the
singleprocessorversion was installed first and you only added the
multiprocessorversion afterwards.
ciao
Jan
Francisco Tufró schrieb:
David, thanks for
Oh, thanks for correction. I'm sorry I got the exact details wrong.
Didn't want to confuse anyone.
Jan
Mark Abraham schrieb:
kobi wrote:
Hi Francisco
If you intalled gromacs-mpi directly, then try to use just mdrun instead
of mdrun_mpi. Normally you only have a mdrun_mpi if the
well, i have installed the rpm versions of gromacs, and gromacs-mpi, didn't compiled it by hand.
i just wonder if there is an example of using gromacs with mpi, like
the demo in /usr/share/gromacs/tutor/demo but showing the usage with
mpi.
ThanksOn 6/12/06, kobi [EMAIL PROTECTED] wrote:
Oh, thanks
Hello list,
My name is Francisco and I'm configuring a cluster to run gromacs using mpi.
As far as i concern i have to install both gromacs and gromacs-mpi. The
question is: do i have to install it on every cluster machinne?
i have made some tests and it seems that the answer is yes, but i would
Francisco Tufró wrote:
Hello list,
My name is Francisco and I'm configuring a cluster to run gromacs using mpi.
As far as i concern i have to install both gromacs and gromacs-mpi. The
question is: do i have to install it on every cluster machinne?
i have made some tests and it seems that the
David, thanks for answering.strange. i've installed one version of gromacs on the front end machinne but when it tries to run mprun_mpi it says that cannot find it (obvously because is searching on a node that is not the frontend machinne).
Where can i find a step by step example of working with
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