Dear AMBER users and development team,
I am facing an issue regarding the installation of the parallel version of
AMBER 18 in our centos 7 workstations.
after doing ./configure -mpi gnu
I am getting;
Warning: Could not link to boost. Ensure boost-thread, boost-system and
boost headers are installed.
Warning: Failed command:
g++ -fPIC -lboost_thread -lboost_system -o testp testp.cpp
Warning: Check boost.compile.err for error details.
Warning: Memembed functionality in packmol_memgen not available.
*Is this ok or I need to worry about it ???*
but the main problem comes after that,
after doing make install
MPITypeCast.c: In function ‘DefineMPITypes’:
MPITypeCast.c:43:18: error: call to ‘MPI_Type_struct’ declared with
attribute error: MPI_Type_struct was removed in MPI-3.0. Use
MPI_Type_create_struct instead.
MPI_Type_struct(count, lengths, offsets, mtypes, &tj->MPI_DIRCON);
^
MPITypeCast.c:55:18: error: call to ‘MPI_Type_struct’ declared with
attribute error: MPI_Type_struct was removed in MPI-3.0. Use
MPI_Type_create_struct instead.
MPI_Type_struct(count, lengths, offsets, mtypes, &tj->MPI_ATOMB);
^
MPITypeCast.c:65:18: error: call to ‘MPI_Type_struct’ declared with
attribute error: MPI_Type_struct was removed in MPI-3.0. Use
MPI_Type_create_struct instead.
MPI_Type_struct(count, lengths, offsets, mtypes, &tj->MPI_ATOMV);
^
MPITypeCast.c:75:18: error: call to ‘MPI_Type_struct’ declared with
attribute error: MPI_Type_struct was removed in MPI-3.0. Use
MPI_Type_create_struct instead.
MPI_Type_struct(count, lengths, offsets, mtypes, &tj->MPI_ATOMX);
^
MPITypeCast.c:92:18: error: call to ‘MPI_Type_struct’ declared with
attribute error: MPI_Type_struct was removed in MPI-3.0. Use
MPI_Type_create_struct instead.
MPI_Type_struct(count, lengths, offsets, mtypes, &tj->MPI_EPRULE);
^
make[2]: *** [MPITypeCast.o] Error 1
make[2]: Leaving directory
`/home/parimal1/Software/amber18/AmberTools/src/mdgx'
make[1]: *** [parallel] Error 2
make[1]: Leaving directory `/home/parimal1/Software/amber18/AmberTools/src'
make: *** [install] Error 2
and installation got stuck.
I am not able to figure it what kind of error is that. Any help regarding
to this will be really helpful
Thank you in advance
--
*with regards*
*Rajarshi Roy*
*PhD Research Scholar*
*Biosciences and Biomedical Engineering*
*Indian Institute of Technology, Indore*
*India*
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Received on Tue May 21 2019 - 21:00:02 PDT
