Respected sir,
I have installed amber10 successfully both in serial and parallel with mvapich
library but while running the test for parallel following error is coming up.
Kindly look into the problem and please help.
[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
Thanking you,
Nicee.
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Received on Tue Feb 23 2010 - 02:00:03 PST
