Dear all
I unpacked openmpi in amber22_src/AmberTools/src and ran the following
commands:
./configure_openmpi gnu
cd amber22_src/build
./clean_build
./run_cmake
make install
The above led to the following error:
Scanning dependencies of target sander.MPI
[ 46%] Linking Fortran executable sander.MPI
/usr/bin/ld:
CMakeFiles/sander_base_obj_mpi.dir/nose_hoover.F90.o(.debug_info+0x4551):
unresolvable R_X86_64_64 relocation against symbol `mpi_fortran_argv_null_'
/usr/bin/ld: final link failed: Nonrepresentable section on output
collect2: error: ld returned 1 exit status
AmberTools/src/sander/CMakeFiles/sander.MPI.dir/build.make:658: recipe for
target 'AmberTools/src/sander/sander.MPI' failed
make[2]: *** [AmberTools/src/sander/sander.MPI] Error 1
CMakeFiles/Makefile2:4272: recipe for target
'AmberTools/src/sander/CMakeFiles/sander.MPI.dir/all' failed
make[1]: *** [AmberTools/src/sander/CMakeFiles/sander.MPI.dir/all] Error 2
Makefile:170: recipe for target 'all' failed
make: *** [all] Error 2
I would appreciate any help in this regard
Thanks
-Nitin
On Wed, Nov 9, 2022 at 9:13 PM David A Case <david.case.rutgers.edu> wrote:
> On Tue, Nov 08, 2022, Nitin Kulhar via AMBER wrote:
> >
> >Serial installation was successful and all tests were passed. However,
> >attempting to install parallel amber executables (after adding -DMPI=TRUE
> >in the 'run_cmake' script) leads to the following error:
> >
> >[ 11%] Linking C shared library libfftw_mpi.so
> >/usr/bin/ld: cannot find
>
> >$ORIGIN:$ORIGIN/../../lib:$ORIGIN/../../../lib:$ORIGIN/../../../compilers/lib:$ORIGIN/../../../../compilers/lib:$ORIGIN/../../../../../compilers/lib:
> >No such file or directory
>
> Can you say what MPI stack you are using, and how it was installed? This
> error arises from trying to build fftw, which is a standard library, and
> not
> a piece of Amber code. So the problem probably arises from how you are
> setting up MPI.
>
> ...thx...dac
>
>
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Received on Thu Nov 10 2022 - 12:00:03 PST
