AMBER Archive (2002)

Subject: sander6 running and crashing at PSC?

From: CUI, Guanglei (cuigl_at_morita.chem.sunysb.edu)
Date: Thu Oct 17 2002 - 12:17:40 CDT

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