[molpro-user] Molpro 2010 problem

[Manhui Wang]

Hello,

It looks something wrong with the mvapich2 or GA.
Does your mvapich2 work fine with a simple Hello Word program?
Has your Global Arrays been built successfully?  Has it passed the
tests? eg.
mpirun -np 4 ./global/testing/test.x
(please ensure mpd is running)

Best wishes,
Manhui


Jyh-Shyong wrote:
>   Hi Molpro users,
> 
> I compiled parallel version of Molpro 2010.01 with ifort and mvapich/GA 
> 4.2，when I tried to run a test job I got the following
> error message:
> 
> /opt/vltmpi/OPENIB/mpi/bin/mpirun -machinefile ./hosts -np 4 
> /package/chem/molpro/2k10.1/bin/molprop_2010_1_Linux_x86_64_i8.exe  JOB.com
> Permission denied.
> Some rank on 'irish3' exited without finalize.
> Cleaning up all processes ...
> done.
> 
> Any idea?
> 
> File   ./hosts contains 4 lines:
> 
> irish3
> irish3
> irish3
> irish3
> 
> Thanks for your help.
> 
> Jyh-Shyong Ho, Ph.D.
> Research Scientist
> National Center for High Performance Computing
> Hsinchu, Taiwan, ROC
> 
> 
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-- 
-----------
Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637