AMBER Archive (2007)

Subject: AMBER: amber9 compile problem

From: hmeij_at_wesleyan.edu
Date: Sun Jun 10 2007 - 08:58:54 CDT

hi, we have a dell cluster running platform/OCS and i'm trying to compile
amber9 against the installed /usr/local/topspin installation with the
infiniband libraries by the topspin (ts_ib) roll from CISCO.

here is what i ran ...

. /share/apps/intel/cc/9.1.047/bin/iccvars.sh
. /share/apps/intel/fc/9.1.043/bin/ifortvars.sh
export PATH=/usr/local/topspin/mpi/mpich/bin:$PATH
export MPI_HOME=/usr/local/topspin/mpi/mpich
export AMBERHOME=/share/apps/amber/9_mpif90.i
export MKL_HOME=/share/apps/intel/cmkl/9.1
export
LD_LIBRARY_PATH=/usr/local/topspin/lib64:/share/apps/intel/fc/9.1.043/lib:$LD_LIBRARY_PATH

./configure -mpich ifort_x86_64

-> i then edit config.h and change all ifort occurences to mpif90.i

make parallel

..when it gets to the first linking

cd ../lmod; cp lmodprmtop ../../exe; chmod 0755 ../../exe/lmodprmtop
mpif90.i -FR -o sander.MPI evb_vars.o evb_input.o
...LARGE COLLECTION OF OTHER FILES OMITTED ..
        ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
        ../lib/nxtsec.o ../lib/sys.a -L/usr/local/topspin/mpi/mpich/lib
-lmpichf90_i -lmpich_i -lmpichfsup_i -lmpich -lvapi -lmosal
-lpthread -ldl -L/share/apps/intel/cmkl/9.1/lib/em64t -lvml
-lmkl_lapack -lmkl -lguide -lpthread

ld: skipping incompatible
/usr/local/topspin/mpi//mpich/lib64/libmpichf90_i.so when searching for
-lmpichf90_i
ld: skipping incompatible
/usr/local/topspin/mpi//mpich/lib64/libmpichf90_i.a when searching for
-lmpichf90_i

and that file does exits exactly at that location

[root_at_swallowtail src]# find /usr/local/topspin -name 'libmpichf90_i*' -ls
1076719 464 -rwxr-xr-x 1 root root 468982 Mar 31 2006
/usr/local/topspin/mpi/mpich/lib64/libmpichf90_i.so
1076718 572 -rwxr-xr-x 1 root root 580522 Mar 31 2006
/usr/local/topspin/mpi/mpich/lib64/libmpichf90_i.a

uname -m reveals 'x86_64', running as root. any ideas?
-Henk

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu