I have configured AMBER with the following option:
export MPI_HOME=/opt/mvapich2-1.0.2
export ACML_DIR=/opt/Libraries/acml/pathscale64_mp/lib
./configure_amber -mpich2 pathscale
while building the parallel version i face the following problem:
$ make parallel
.
.
.
../lib/nxtsec.o ../lib/sys.a mt19937.o ncsu-abmd-hooks.o ncsu-bbmd-ctxt.o
ncsu-bbmd-hooks.o ncsu-cftree.o ncsu-colvar-math.o ncsu-colvar-type.o
ncsu-colvar-utils.o ncsu-colvar.o ncsu-constants.o ncsu-cv-ANGLE.o
ncsu-cv-DISTANCE.o ncsu-cv-HANDEDNESS.o ncsu-cv-MULTI_RMSD.o
ncsu-cv-N_OF_BONDS.o ncsu-cv-N_OF_STRUCTURES.o ncsu-cv-R_OF_GYRATION.o
ncsu-cv-TORSION.o ncsu-lexer.o ncsu-parser.o ncsu-pmd-hooks.o ncsu-rmsd.o
ncsu-sander-hooks.o ncsu-sander-proxy.o ncsu-smd-hooks.o ncsu-umbrella.o
ncsu-utils.o ncsu-value.o ../netcdf/lib/libnetcdf.a
-L/opt/Libraries/acml/pathscale64_mp/lib -lacml
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`__ompc_barrier'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`__ompc_get_local_thread_num'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`omp_in_parallel_'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`__ompc_fork'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`omp_get_thread_num_'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`__ompc_serialized_parallel'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`omp_get_num_threads_'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`__ompc_can_fork'
/opt/Libraries/acml/pathscale64_mp/lib/libacml.so: undefined reference to
`__ompc_end_serialized_parallel'
collect2: ld returned 1 exit status
make[1]: *** [sander.MPI] Error 1
make[1]: Leaving directory `/md1/vinod/Amber10/amber10_1/amber10/src/sander'
make: *** [parallel] Error 2
Can anyone help in resolving the problem.
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Received on Tue Mar 09 2010 - 04:00:04 PST
