Hi Amber folks!
Sorry to be a hassle again. Still trying to get Amber to work on this Cray
XC40/50 system. Is it possible to compile amber without C++ linking to
fortran, perhaps without cuda or EMIL features?
We finally got the serial version to compile with limited functionality but
when we try to add in MPI we get this error from the configuration:
> ./configure -noX11 --skip-python --with-netcdf $NETCDF_DIR -mpi -noopt
-nofftw3 cray
...[Patches, Compilers, NetCDF, zlib = OK
Configuring CPPTRAJ...complete]....
testing [C++ / fortran] cross-compile with MPI libs
testMPICXX.o:(.data+0x210): undefined reference to `typeinfo for MPI::Comm'
testMPICXX.o:(.data+0x290): undefined reference to `typeinfo for
MPI::Intracomm'
testMPICXX.o:(.data+0x2d0): undefined reference to `typeinfo for
MPI::Intracomm'
testMPICXX.o:(.data+0x210): undefined reference to `typeinfo for MPI::Comm'
testMPICXX.o:(.data+0x290): undefined reference to `typeinfo for
MPI::Intracomm'
testMPICXX.o:(.data+0x2d0): undefined reference to `typeinfo for
MPI::Intracomm'
testMPICXX.o:(.data+0x210): undefined reference to `typeinfo for MPI::Comm'
testMPICXX.o:(.data+0x290): undefined reference to `typeinfo for
MPI::Intracomm'
testMPICXX.o:(.data+0x2d0): undefined reference to `typeinfo for
MPI::Intracomm'
Error! Could not link C++ mpi code using mpi fortran linker:
"ftn "
[C++ / fortran / MPI] cross-linking is needed for cuda_parallel and EMIL
builds.
Try: "mpif90 -show"
Configure failed due to the errors above!
Is there a way to turn off cuda_parallel and EMIL builds? (I'm not asking
for cuda in the configure flags but it's still partly trying apparently?)
At the moment mostly I just need sander.mpi and cpptraj?
Thanks!
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Received on Thu Sep 21 2017 - 11:00:03 PDT
