[molpro-user] Molpro can not run correctly with mpp binary version

kevin zhh at hongcam.com.cn
Sun Apr 12 10:19:19 BST 2009


Dear Molpro users,

I installed molpro2008.01 binary on our cluster.
The test job will be run smoothly on a node(which has 8 core per node)
with 1, 2, 4, 8 core respectively.
When i run the same test job on two nodes with 16 core,
i get following error message:
//0: ARMCI aborting 2 (0x2).
system error message: Transport endpoint is not connected
WaitAll: Child (8474) finished, status=0x100 (exited with code 1).
WaitAll: No children or error in wait?
/ /
And can anybody please tell me, if molpro2008.01 can be compiled
on Infibande network with "LAMCI_NETWORK=OpenIB" interface?
I noticed it can be compiled wich "LAMCI_NETWORK=MELLANOX".

The last one, i complied molpro2008.01 using Intel-MPI.
It was similar to the above situation,
all the things are fine on a node,but there is problem after run job on 
tow nodes.
Although the every cpu(core) run 100%, there is nothing to output,
even error message.
The following is my configuration setting with GA and Molpro.
//gmake TARGET=LINUX64 USE_MPI=y FC=ifort CC=icc BLAS_I8=yes 
NATIVE_BLAS=no 
BLAS_LIB=-L/home_soft/soft/x86_64/lib/mkl/10.1.1.019/lib/em64t 
-lmkl_intel_ilp64 -lmkl_sequential -lmkl_core LARGE_FILES=yes 
TCGRSH=/usr/bin/ssh  
MPI_LIB=/home_soft/soft/x86_64/mpi/impi/3.2.0.011/lib64 
MPI_INCLUDE=/home_soft/soft/x86_64/mpi/impi/3.2.0.011/include64

./configure -batch -icc -ifort -mpp -mppbase 
/home_soft/soft/x86_64/apps/CompChem/Molpro/molpro_tcgmsg-impi/ga-4-1-1 
-instroot /home_soft/soft/x86_64/apps/CompChem/Molpro/molpro_tcgmsg-impi 
-blaspath //home_soft/soft/x86_64/lib/mkl/10.1.1.019/lib/em64t// /


Thanks in advance,
Kevin



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