Hello all,
I have successfully installed amber10 both in serial and parallel with mvapich
library but the test run for parallel is giving the following error:
[nicee.master1 src]$ cd $AMBERHOME/test
[nicee.master1 test]$ export DO_PARALLEL='mpirun -np 4'
[nicee.master1 test]$ make test.parallel.MM < /dev/null
export TESTsander=/home/nicee/amber10/exe/sander.MPI; make test.sander.BASIC
make[1]: Entering directory `/home/nicee/amber10/test'
cd cytosine && ./Run.cytosine
PMGR_COLLECTIVE ERROR: unitialized MPI task: Missing required environment
variable: MPIRUN_RANK
PMGR_COLLECTIVE ERROR: unitialized MPI task: Missing required environment
variable: MPIRUN_RANK
PMGR_COLLECTIVE ERROR: unitialized MPI task: Missing required environment
variable: MPIRUN_RANK
PMGR_COLLECTIVE ERROR: unitialized MPI task: Missing required environment
variable: MPIRUN_RANK
./Run.cytosine: Program error
make[1]: *** [test.sander.BASIC] Error 1
make[1]: Leaving directory `/home/nicee/amber10/test'
make: *** [test.sander.BASIC.MPI] Error 2
Kindly help and suggest.
Thanking you.
With due regards,
Nicee.
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Received on Sun May 30 2010 - 22:00:03 PDT
