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.localhost ~] cd $AMBERHOME/test
[jbeale.localhost test] $ setenv DO_PARALLEL 'mpirun -np 4'
[jbeale.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.stlcop.edu
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Received on Sun Sep 16 2007 - 06:07:35 PDT
