[AMBER] compiling error for amber10 in parallel version with g++4.3.2, gfortan 4.3, mpich or lam or openmpi

From: <michelle.dupont.ulg.ac.be>
Date: Mon, 20 Dec 2010 16:52:49 +0100 (CET)


I compiled amber10 in serial version without problem on a debian PC (lenny quad-core)).
But with the parallel version, there are a lot of error when I compile _nose_hoover.f.
I tried several MPI :

export MPI_HOME=/usr/lib/lam or /usr/lib/mpich or /usr/local/openmpi-1.4.3
export AMBERHOME=/usr/local/amber10-mpi/amber10
./configure_at -mpi
make -f Makefile_at (no error)
./compile_amber <-lam|-mpich|-openmpi> gfortran

And I have an error when it's compiling _nose_hoover.f.

Starting installation of Amber10 (parallel) at Mon Dec 20 16:01:29 CET 2010.
cd sander; make parallel
make[1]: Entering directory `/usr/local/amber10-mpi/amber10/src/sander'
cpp -traditional -I/usr/lib/lam/include -P -xassembler-with-cpp -Dsecond=ambseco
nd -DBINTRAJ -DMPI nose_hoover.f > _nose_hoover.f
/usr/lib/lam/bin/mpif77 -c -O3 -fno-range-check -fno-second-underscore -ffree-fo
rm -o nose_hoover.o _nose_hoover.f

module nose_hoover_module
Error: Unexpected MODULE statement at (1)

  implicit none
Error: Unexpected IMPLICIT NONE statement at (1)

  character(*), parameter :: module_name = "nose_hoover_module:"
Error: Unexpected data declaration statement at (1)

Can you help me please?

Thanks in advance.

Michelle Dupont

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Received on Mon Dec 20 2010 - 08:00:03 PST
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