Package: gromacs-openmpi Version: 4.0.4-1 Severity: important Tags: patch Hi Nicholas,
I noticed that the gromacs-openmpi package in sid has a wrong dependancy on LAM/MPI which can cause unexpected behaviour. The problem seems to be that Open MPI links to /usr/lib/libmpi.so which is a symlink to the LAM/MPI version (handled via update-alternatives). The attached patch fixes this by providing a direct path to the Open MPI libs to the linker which fixes the problem. You may want to do a similar thing for the other implementations. I did not test this since I use Open MPI exclusively. It works for Open MPI, though. Best regards Manuel -- System Information: Debian Release: 5.0.1 APT prefers stable APT policy: (500, 'stable'), (200, 'unstable') Architecture: amd64 (x86_64) Kernel: Linux 2.6.26-2-amd64 (SMP w/2 CPU cores) Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8) Shell: /bin/sh linked to /bin/dash Versions of packages gromacs-openmpi depends on: ii base-files 5lenny2 Debian base system miscellaneous f pn lam4c2 <none> (no description available) ii libc6 2.7-18 GNU C Library: Shared libraries ii libfftw3-3 3.1.2-3.1 library for computing Fast Fourier ii libopenmpi1 1.2.7~rc2-2 high performance message passing l ii openmpi-bin 1.2.7~rc2-2 high performance message passing l Versions of packages gromacs-openmpi recommends: ii gromacs 4.0.4-1 Molecular dynamics simulator, with Versions of packages gromacs-openmpi suggests: pn gromacs-doc <none> (no description available)
Index: debian/rules =================================================================== --- debian/rules (Revision 1842) +++ debian/rules (Arbeitskopie) @@ -64,7 +64,8 @@ --without-x \ --without-gsl \ MPICC=/usr/bin/mpicc.openmpi \ - CC=/usr/bin/mpicc.openmpi + CC=/usr/bin/mpicc.openmpi \ + LDFLAGS=-L/usr/lib/openmpi/lib # optional parallel build ifneq (,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
