Hello all
I am installing amber10 in paralllel using openmpi and ifort,openmpi is located in
opt/cluster/mpi/openmpi-1.3.3_intel.
My bash_profile file is:
AMBERHOME=/home/sangita/amber10; export AMBERHOME
MPI_HOME=/opt/cluster/mpi/openmpi-1.3.3_intel; export MPI_HOME
LD_LIBRARY_PATH=/opt/cluster/mpi/openmpi-1.3.3_intel:$LD_LIBRARY_PATH:/opt/intel/fc/9.1.043/lib/libsvml.so
; export LD_LIBRARY_PATH
PATH=$PATH:$HOME/bin:$AMBERHOME/exe:/opt/cluster/mpi/openmpi-1.3.3_intel
when I am compiling, it giving the following error:
[sangita.master1 src]$ make parallel
> Starting installation of Amber10 (parallel) at Mon May 31 22:55:09 IST
> 2010.
> cd sander; make parallel
> make[1]: Entering directory `/home/sangita/amber10/src/sander'
> ./checkparconf
> cpp -traditional -I/opt/cluster/mpi/openmpi-1.3.3_intel/include -P
> -DBINTRAJ
> -DMPI constants.f > _constants.f
> /opt/cluster/mpi/openmpi-1.3.3_intel/bin/mpif90 -c -w95 -vec_report0 -mp1
> -ip
> -O3 -axWP -FR -o constants.o _constants.f
> /opt/cluster/mpi/openmpi-1.3.3_intel/bin/mpif90: error while loading shared
> libraries: libsvml.so: cannot open shared object file: No such file or
> directory
> make[1]: *** [constants.o] Error 127
> make[1]: Leaving directory `/home/sangita/amber10/src/sander'
> make: *** [parallel] Error 2
But when my bash_profile file is:
AMBERHOME=/home/sangita/amber10; export AMBERHOME
MPI_HOME=/opt/cluster/mpi/openmpi-1.3.3_intel; export MPI_HOME
LD_LIBRARY_PATH=$MPI_HOME/lib:/opt/cluster/mpi/openmpi-1.3.3_intel:$LD_LIBRARY_PATH:/opt/intel/fc/9.1.043/lib/libsvml.so
; export LD_LIBRARY_PATH
PATH=$PATH:$HOME/bin:$AMBERHOME/exe:$MPI_HOME/bin:/opt/cluster/mpi/openmpi-1.3.3_intel
export PATH
Its compiling the amber10.
Why it is so? While I have already set the MPI_HOME environment.
Can anybody explain it?
With regard
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Tue Jun 01 2010 - 09:30:06 PDT
