From: Dr. Eddie (eackad_at_gmail.com)
Date: Tue Mar 08 2016 - 16:55:34 CST
Hi all,
I am trying to learn how to REMD with namd 2.11 by following the (spartan)
tutorial <http://www.ks.uiuc.edu/Research/namd/2.11/ug/node69.html>. I have
two problems:
1) I don't understand what jobX.conf are doing exactly and why two are
commands are needed (first job0.conf then job1.conf)
2) I can't get it to run:
~/bin/NAMD_2.11_Linux-x86_64-multicore-CUDA/lib/replica/example$ mpirun
./../../namd2 +idlepoll +replicas 8 job0.conf +stdout output/%d/job0.%d.log
Charm++: standalone mode (not using charmrun)
Charm++> Running in Multicore mode: 1 threads
--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 23811 on node heartofgold
exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------
Nothing comes out so I can't see any errors:
~/bin/NAMD_2.11_Linux-x86_64-multicore-CUDA/lib/replica/example$ ls output/*
output/0:
total 0
output/1:
total 0
output/2:
total 0
output/3:
total 0
output/4:
total 0
output/5:
total 0
output/6:
total 0
output/7:
total 0
I've tried using +idlepoll since this is a gpu build, but this changed
nothing. Any help or idea would be most welcome!
Thanks,
Eddie
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