RE: NAMD in TACC lonestar

From: Song, Hyundeok (songhk) (songhk_at_mail.uc.edu)
Date: Mon Mar 29 2010 - 11:42:32 CDT

NAMD in TACC lonestar
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdAtTexas

;job submission file, configuration file, log file, number of node
*****.pbs *****.conf *****.log 128

.pbs file contains following line.
bsub -q ${QUEUE} -J ***** -W ${TIME} -n ${NUMPROCS} -P ************ << ENDINPUT

Hyun.
________________________________________
From: owner-namd-l_at_ks.uiuc.edu [owner-namd-l_at_ks.uiuc.edu] on behalf of snoze pa [snoze.pa_at_gmail.com]
Sent: Monday, March 29, 2010 11:51 AM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: NAMD in TACC lonestar

Dear NAMD developers,

 Does anyone know how to run a namd2 job in TACC lonestar. Is it
possible to run local version of NAMD2 there using bsub.

Thank you,

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