Dear AMBER Masterminds,
I am installing the parallel version of
AMBER-8 on Dual-Core AMD Opteron(tm) Processor 8218 with RHEL 4 as the OS
with PGI Compilers.
While installing for parallel run the
compilations are successful ,but for testing of sander,it is giving
segmentation fault and/or program error.
These are the commands
I gave and the outputs are given below.
-----------------------------------------------------------
$./configure -mpich -opteron pgf90
$make parallel (no error)
$cd $AMBERHOME/test
$ make test.sander
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
/usr/bin/mpich-1.2.7/bin/mpirun.ch_shmem: line 91: 27950
Segmentation fault /home/tools/amber8/test/cytosine/../../exe/sander
"-O" "-i" "in.md" "-c"
"crd.md.23" "-o" "cytosine.out"
./Run.cytosine: Program error
make: *** [test.sander.no_lmod] Error 1
-------------------------------------------
Can anyone
please suggest the possible solutions for the error I am facing.
regards
B R Meher
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Received on Sat Jan 05 2008 - 00:03:27 PST
