[gmx-users] Error when compiling 2019.2 with -DGMX_MPI=ON

[Dallas Warren]

I can compiling the entire package of 2019.2 fine, without MPI on.

But as soon as I go to compile with MPI, I get a fatal error.

The following works fine:
cmake .. -DGMX_MPI=OFF -DGMX_GPU=ON -DGMX_BUILD_MDRUN_ONLY=ON
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromas-2019.2

But the following does not:
cmake .. -DGMX_MPI=ON -DGMX_GPU=ON -DGMX_BUILD_MDRUN_ONLY=ON
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromas-2019.2

Gives the following error:
-- Configuring done
-- Generating done
-- Build files have been written to:
/home/dallas/Downloads/gromacs/gromacs-2019.2/build
[  0%] Building C object
src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/adler32.c.o
cc: fatal error: no input files
compilation terminated.
/bin/sh: -funwind-tables: command not found
/bin/sh: -fasynchronous-unwind-tables: command not found
/bin/sh: -fstack-clash-protection: command not found
make[2]: *** [src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make:63:
src/gromacs/CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/adler32.c.o]
Error 127
make[1]: *** [CMakeFiles/Makefile2:1760:
src/gromacs/CMakeFiles/tng_io_zlib.dir/all] Error 2
make: *** [Makefile:163: all] Error 2

Did think it might have been an issue with having TNG on, and the zlib
etc, so even when you turn off TNG off (-DGMX_USE_TNG=OFF) then get
the same error:
-- Configuring done
-- Generating done
-- Build files have been written to:
/home/dallas/Downloads/gromacs/gromacs-2019.2/build
Scanning dependencies of target libgromacs_generated
[  0%] Building CXX object
src/gromacs/CMakeFiles/libgromacs_generated.dir/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.cpp.o
c++: fatal error: no input files
compilation terminated.
/bin/sh: -funwind-tables: command not found
/bin/sh: -fasynchronous-unwind-tables: command not found
/bin/sh: -fstack-clash-protection: command not found
make[2]: *** [src/gromacs/CMakeFiles/libgromacs_generated.dir/build.make:63:
src/gromacs/CMakeFiles/libgromacs_generated.dir/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecCSTab_VdwBham_GeomP1P1_c.cpp.o]
Error 127
make[1]: *** [CMakeFiles/Makefile2:1756:
src/gromacs/CMakeFiles/libgromacs_generated.dir/all] Error 2
make: *** [Makefile:163: all] Error 2

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.