AMBER Archive (2006)

Subject: AMBER: Parallel version of Amber: error message

From: snoze pa (snoze.pa_at_gmail.com)
Date: Mon Feb 06 2006 - 12:55:39 CST

Dear AMBER Users,

Anybody has good luck in compileing parallel version of amber. I spend two
days but still sander is giving me following error using mpich.

cd cytosine; ./Run.cytosine
/home/amber8/test/cytosine/../../exe/sander: error while loading shared
libraries: libvml.so: cannot open shared object file: No such file or
directory
p0_1395: p4_error: Child process exited while making connection to remote
process on xxx.xxx.xxx: 0
forrtl: error (69): process interrupted (SIGINT)
p0_1395: (2.205486) net_send: could not write to fd=4, errno = 32
  ./Run.cytosine: Program error

but when I use

export LD_LIBRARY_PATH='/usr/intel/mkl/8.0.1/lib/32:'
then it is giving me following error message
cd cytosine; ./Run.cytosine
/home/amber8/test/cytosine/../../exe/sander: error while loading shared
libraries: libimf.so: cannot open shared object file: No such file or
directory
  ./Run.cytosine: Program error
make: *** [test.sander.no_lmod] Error 1

How to compile amber in parrallel using mpich, any help will be highly
appreciated. LAM is not working in my case so I am using mpich.
thanks in advance
snoze

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