Dear all,
I have a system of 31533 atoms (including solvent). The simulation
is a simple PBC calculation, which I have done on our Intel/Linux
cluster. Shifting this job to lemieux at PSC gave me the following
message 2 hours after started. The job crashed with unknown reasons.
The calculation was done with sander6. Has anyone experienced
similar problems at PSC with sander6? I'll try sander7 shortly. Any
reply will be appreciated.
Regards,
setenv CP /usr/psc/bin/tcscp
setenv RM /usr/psc/bin/tcsrm
cd /usr/scratch/6/simmerli/cuigl/FabI.TCS.fixed
/usr/psc/bin/tcsrm -r {compute}:$LOCAL/*
/usr/psc/bin/tcscp -r * {compute}:$LOCAL
prun -N 8 -n 32 ./runall
ELAN_EXCEPTION . 0: 5 (Memory exhausted)
newTxDesc: Elan memory exhausted: port 2b240
prun: no core file for job 273185 in /local/core/rms/273185
/usr/psc/bin/tcscp -r {compute0}:$LOCAL/*
/usr/scratch/6/simmerli/cuigl/FabI.TCS.fixed
/usr/psc/bin/tcsrm -r {compute}:$LOCAL/*
--
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790
Received on Thu Oct 17 2002 - 10:17:40 PDT
