Le Mercredi 29 Mai 2002 14:46, Fabrice Yerly a écrit :
> Dear all,
>
> When trying to run a parallel version of amber with MPich, I get the
> following error:
>
> /usr/bin/mpirun.mpich -machinefile /usr/spool/PBS/aux/104.icmbcu001.epfl.ch
> -np 3 /usr/local/amber6/exe/sander -O -i ./md/dy300_vel.in -o
> ./md/dy300.out -p ./prep/TETA_prm.top -c ./md/TETA_rel.rst -r
> ./md/MD300.rst -inf ./md/MD.lis -x ./md/MD300.g12 -v ./md/MD300.vel
> p0_19741: p4_error: : 1
> bm_list_19742: p4_error: interrupt SIGINT: 2
> p0_19741: (0.482793) net_send: could not write to fd=4, errno = 32
>
> - if I run /usr/lib/mpich/sbin/tstmachines, everything seems OK
> - if I run some sample MPI programs (fpi,...), the run correctly
> - But for sander... this error
>
> I tried compilations with pgf77 4.0-1 and g77 2.95.4, both compilations
> seems to work, but also make test gives the same error: p0_19741:
> p4_error: : 1
>
> Does anybody have an idea?
>
> PS Special thanks to Victor Hornak for his help on farg.f
>
> Fabrice
As reported before try to increase the value of
P4_GLOBMEMSIZE
For example in your .bashrc
export P4_GLOBMEMSIZE=10000000
for example.
Stef
Received on Wed May 29 2002 - 07:00:44 PDT
