[DFTB-Plus-User] compiling DFTB+

[siddheshwar chopra]

Dear Helen,
I may not be able to find the exact solution. But can give you some hint.
Please check if intel compilers need IFORTRAN or not? Else, check the
gfortran binary in /usr/bin folder.

Regards,

On Thu 26 Apr, 2018 5:42 pm Helen Eisenberg, <helen at fh.huji.ac.il> wrote:

> Hello,
>
> I am trying to compile DFTB_18.1. We have intel 2016 compilers, mpi and
> mkl. I copied the make.x86_64-linux-intel to make.arch
>
> I sourced the intel 2016 compilers with mpi
>
> I downloaded the optional components using ./utils/get_opt_externals ALL
>
> In the make.config I set:
> WITH_MPI := 1
> WITH_SOCKETS := 1
> WITH_ARPACK := 1
> WITH_DFTD3 := 1
> DEBUG := 0
> TEST_MPI_PROCS := 1
> TEST_OMP_THREADS := 1
> COMPILE_DFTD3 := 1
>
> When I run "make", I get this error:
>
> make[1]: Entering directory
> `/opt/prg_dftb_18.1/dftbplus-18.1/_build/external/fsockets'
> mpif90 -O2 -qopenmp -ip -standard-semantics -heap-arrays 10 -o
> fsockets.o -c
> /opt/prg_dftb_18.1/dftbplus-18.1/external/fsockets/fsockets.f90
> gfortran: error: 10: No such file or directory
> gfortran: error: unrecognized command line option ‘-qopenmp’
> gfortran: error: unrecognized command line option ‘-ip’
> gfortran: error: unrecognized command line option ‘-standard-semantics’
> gfortran: error: unrecognized command line option ‘-h’
>
> I have gfortran on my computer,
>
> Can anybody give me advice to why I can't compile?
>
> Thank you,
>
> Dr. Helen Eisenberg
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20180426/a9d6490c/attachment.htm>