Hi,
I am a user of Amber10. When I install the mpi version of sander using the following steps:
./configure_amber -openmpi gfortran
make parallel
I got the following error:
cpp -traditional -I/usr/lib64/openmpi/include -P -xassembler-with-cpp -Dsecond=ambsecond -DBINTRAJ -DMPI nose_hoover.f > _nose_hoover.f
nose_hoover.f:455:0: fatal error: mpif.h: No such file or directory
compilation terminated
When I type mpif90 -show, it displays:
gfortran -I/usr/include/openmpi-x86_64 -pthread -m64 -I/usr/lib64/openmpi/lib -L/usr/lib64/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl
Could any help me solve the problem? Thanks a lot.
Sincerely,
Qian
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Received on Tue Aug 21 2012 - 14:30:04 PDT
