Hi, I suspect MPT has a bug such that one of its headers defines UNDEFINED, which it should not do. If so, you can change src/gromacs/legacyheaders/names.h lines 110-1 to read
#define GMX_UNDEFINED "UNDEFINED" #define ENUM_NAME(e, max, names) ((((e) < 0) || ((e) >= (max))) ? GMX_UNDEFINED : (names)[e]) and you should be fine. If so, please let us know, and please file a bug report with SGI. Mark On Wed, Jan 6, 2016 at 5:33 PM hubert santuz <[email protected]> wrote: > Hi everyone, > > I am trying to install the last version of Gromacs (5.1.1) on our SGI > cluster. > The mono-processor compilation went fine and now I would like to compile > the mdrun MPI version with the SGI MPT (the MPI library of SGI) 2.09 > (and also 2.12) > Here the cmake command I used: > > cmake .. -DGMX_GPU=OFF -DCMAKE_C_COMPILER=gcc > > -DCMAKE_INSTALL_PREFIX=/opt/apps/software/pkg/gcc-4.9.0/mpt-2.0.9/gromacs/5.1.1/single > > > -DFFTWF_LIBRARY=/opt/apps/software/pkg/gcc-4.9.0/fftw/3.3.3/single/lib/libfftw3f.so > > -DFFTWF_INCLUDE_DIR=/opt/apps/software/pkg/gcc-4.9.0/fftw/3.3.3/single/include > -DGMX_MPI=ON -DMPI_C_INCLUDE_PATH=/opt/sgi/mpt/mpt-2.12/include > -DMPI_C_LIBRARIES=/opt/sgi/mpt/mpt-2.12/lib/libmpi.so > -DGMX_BUILD_MDRUN_ONLY=ON -DBUILD_SHARED_LIBS=off > > > The configuration went fine but when I ran make, I have the following > error: > > > service0:gromacs-5.1.1/build # make > [ 0%] Generating baseversion-gen.c > Scanning dependencies of target libgromacs > [ 0%] Building C object > > src/gromacs/CMakeFiles/libgromacs.dir/__/external/tng_io/src/compression/bwlzh.c.o > [...] > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o > [ 4%] Building CXX object > src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o > In file included from > > /opt/apps/software/src/gromacs/gromacs-5.1.1/src/gromacs/domdec/domdec_setup.cpp:53:0: > > /opt/apps/software/src/gromacs/gromacs-5.1.1/src/gromacs/legacyheaders/names.h:110:25: > erreur: expected unqualified-id before string constant > #define UNDEFINED "UNDEFINED" > ^ > make[2]: *** > [src/gromacs/CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o] Erreur 1 > make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Erreur 2 > make: *** [all] Erreur 2 > > This is strange because, as I said, the mono-processor compilation went > fine. > I tried to upgrade the MPT library (2.12) without success. > I tried Openmpi 1.8.1 and it succeed. > Is there a compatibility issue with MPT ? I would like to keep this > library since I achieved better performance with it. > > Thanks, > Hubert > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
