AMBER Archive (2007)

Subject: AMBER: parallel implementation of Amber 9

From: Beale, John (jbeale_at_stlcop.edu)
Date: Fri Sep 14 2007 - 07:40:03 CDT

I am trying to set up parallel implementation of Amber 9 on my SGI Linux
system. Written below is the output that I get from the test routine:
 
[jbeale_at_localhost ~] cd $AMBERHOME/test
[jbeale_at_localhost test] $ setenv DO_PARALLEL 'mpirun -np 4'
[jbeale_at_localhost test] $ make test.parallel
export TESTsander=/home/jbeale/amber9/amber9/exe/sander.MPI; make
test.sander.BASIC
make[1]: Entering directory 'home/jbeale/amber9/amber9/test'
cd dmp ./Run.dmp
This test not set up for parallel
 cannot run in parallel with #residues < #pes
cd adenine; ./Run.adenine
This test not set up for parallel
 cannot run in parallel with #residues < #pes
============================================
cd cytosine; ./Run.cytosine
Segmentation fault
   ./Run.cytosine: Program error
make[1]: *** [test.sander.BASIC] Error 1
make[1]: Leaving directory '/home/jbeale/amber9/amber9/test'
make: *** [test.sander.BASIC.MPI] Error 2
 
 
Can someone help me work through this problem?
 
Thanks!

John Beale
 
 
John M. Beale, Ph,D,
Associate Professor of Medicinal Chemistry
St. Louis College of Pharmacy
4588 Parkview Place
St. Louis, Missouri 63110
(314)-446-8461
Cell: (314)-315-0409
FAX (314) 446-8460
jbeale_at_stlcop.edu
 

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