Dear all,
I thought I was out of the woods... Trying to install amber parallel
(-mpi) on my little cluster.
I downloaded and installed the intel packages. Installted amber serial,
with no problems. all tests passed.
I compiled mpich2 in the Ambertools directory with no errors (as far as I
could tell)
placed the following in .bashrc
source /opt/intel/bin/compilervars.sh intel64
# User specific aliases and functions
export AMBERHOME=/share/apps/amber12
export MKL_HOME=/opt/intel/mkl
export PATH=$PATH:/opt/intel/bin
export MPI_HOME=/share/apps/amber12/AmberTools/src
export PATH=$PATH:/$MPI_HOME/mpich2-1.4.1p1/bin
configure -mpi intel doesn't give any problems.
make install - lots of errors (see below)
the issue is it is using gcc and gfortran (which are installed)
any insights on how to properly call the proper mpicc and mpif90 in
AmberTools?
error from make install
gcc: language Host not recognized
gcc: language Host not recognized
gcc: xminC.c: linker input file unused because linking not done
mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
-D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
-I/opt/intel/mkl/include -I/share/apps/amber12/include -o AmberNetcdf.o
AmberNetcdf.c
gcc: language Host not recognized
gcc: language Host not recognized
gcc: AmberNetcdf.c: linker input file unused because linking not done
rm -f /share/apps/amber12/lib/libsff_mpi.a
ar rv /share/apps/amber12/lib/libsff_mpi.a binpos.o conjgrad.o lmodC.o
memutil.o nblist.o newton.o nmode.o prm.o rand2.o sasad.o sff.o time.o
xminC.o AmberNetcdf.o
ar: creating /share/apps/amber12/lib/libsff_mpi.a
ar: binpos.o: No such file or directory
make[2]: *** [libsff_mpi] Error 1
make[2]: Leaving directory `/share/apps/amber12/AmberTools/src/sff'
make[1]: *** [parallel] Error 2
make[1]: Leaving directory `/share/apps/amber12/AmberTools/src'
make: *** [install] Error 2
Thanks,
Jonathan
p.s. - i tried placing the full path (to mpicc and mpif90) in the config.h,
which allowed it to compile, but then all the tests failed.
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Received on Mon Jun 04 2012 - 11:00:03 PDT
