Re: NAMD_multiprocessor

From: Ramin Ekhteiari (ramin_ekh_at_yahoo.com)
Date: Sat Sep 28 2013 - 04:40:19 CDT

Hi, You may use mpirun -n<number of clusters> namd2 inputfile.... Ramin. ________________________________ From: Shomesankar Bhunia <rightclickatrighttime_at_gmail.com> To: namd-l_at_ks.uiuc.edu Sent: Saturday, September 28, 2013 11:15 AM Subject: Re: namd-l: NAMD_multiprocessor Sorry I solved it. On Sat, Sep 28, 2013 at 1:38 PM, Shomesankar Bhunia <rightclickatrighttime_at_gmail.com> wrote: Dear all >I want to run a NAMD based MD simulation using multiprocessor. I am using the command > > ./namd2 +p3 min.conf > min.log > > > >but I am getting > >To use multiple processors, you must run this program as: > > charmrun +p3 ./namd2 <args> >or build the net-linux-x86_64-iccstatic-smp version of Charm++. >------------- Processor 0 Exiting: Called CmiAbort ----------- > > > >When i am using >charmrun +p3 ./namd2 min.conf > min.log > >I am getting >charmrun: command not found > > >How to solve it. > > > > > >

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