Dear Amber users,
We are faced with a problem while running PMEMD of Amber8 on our parelled
machine.
The error reads:
error while loading shared libraries: libimf.so: cannot open shared object
file: No such file or directory
When we tried locate libimf.so, it appeared to be in the lib directory
(/opt/intel/fce/9.0/lib/libimf.so) where the intel compiler (Intel Fortran
90) was installed.
We also tried source /opt/intel/fce/9.0/bin/ifortvars.sh, but the same error
appeared.
We chose the -linux_opteron -ifort -mpich options to configure, which was in
line with our system. The installation was completed successfully.
Here is the script of our config.h:
# WARNING - There are unresolved problems (compiler internal errors)
# when using ifort to compile pmemd. This file is a placeholder.
setenv MPICH_INCLUDE $MPICH_HOME/include
setenv MPICH_LIBDIR $MPICH_HOME/lib
setenv MPILIB "-L$MPICH_LIBDIR -lmpich"
setenv PREPROCFLAGS "-DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_VECT_OPT"
setenv CPP "/lib/cpp -traditional -I$MPICH_INCLUDE"
setenv OPT_LO "ifort -c -auto -tpp7 -O0"
setenv OPT_MED "ifort -c -auto -tpp7 -O2"
setenv OPT_HI "ifort -c -auto -tpp7 -xW -ip -O3"
setenv LOAD "ifort "
setenv LOADLIB " -limf -lsvml $MPILIB"
Meanwhile, the sander program runs well on our system.
We are eager to know the cause of the problem.
Thanks in advance.
Best,
Su Qiu
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Received on Tue Sep 21 2010 - 00:30:03 PDT
