Re: [AMBER] run issues

From: Asmita Gupta <>
Date: Tue, 2 Jul 2013 11:43:20 +0530

In my installation of amber12 parallel version, all serial and parallel
executables of cpptraj, sander, and and .MPI) are located
in $AMBERHOME/bin well as the dir MMPBSA_mods is too located there the locations are same for everything...

However, as mpi4py was not installed with my system python installation, i
installed it manually using the distribution provided with Amber12
($AMBERHOME/AmberTools/src/mmpbsa/mpi4py-1.2 version) using the default
options given in mpi.cfg file..and an executable python-mpi was created in

The installation was successful as i ran test scripts given in test and
demo folders. But still, couldn't be run and i got the same
error as above...

Do i need to create a PATH or something?or copy the mpi-executable to
$amberhome/bin ( i did that too)...


AMBER mailing list
Received on Mon Jul 01 2013 - 23:30:02 PDT
Custom Search