VMD-L Mailing List

From: alamng_at_uci.edu
Date: Fri Apr 15 2011 - 02:35:05 CDT

Dear Users,

I need some help about my Replica Exchange script. I am using the material
from the tutorial and it works nicely. However when I try to run in parallel
(Choosing the proper choice) I got the following message:

can't read "env(LSB_HOSTS)": no such variable
    while executing
""cd [pwd]; $namd_bin_dir/charmrun $namd_bin_dir/namd2 +netpoll" \
   $env(LSB_HOSTS) 1 "
    invoked from within
"set spawn_namd_command \
  [list spawn_namd_parallel
  "cd [pwd]; $namd_bin_dir/charmrun $namd_bin_dir/namd2 +netpoll" \
   $env(LSB_HOSTS) 1 ]"
    (file "Replica_A21_A30_run1.config" line 56)
    invoked from within
"source $file "
    ("foreach" body line 1)
    invoked from within
"foreach file $argv { source $file }"
    (file "replica_exchange.tcl" line 6)
/opt/torque/mom_priv/jobs/194654.greenplanet.local.SC: line 190: 187,1:
command not found

I cannot figure this out...Any suggestion?

Thanks a lot.
Alfonso Lam