Sending this again, because my laptop crashed just as I was mailing this,
and I'm not sure if it was really mailed or not.....dac
----- Forwarded message from David A Case <david.case.rutgers.edu> -----
Date: Thu, 21 Sep 2017 22:43:37 +0200
From: David A Case <david.case.rutgers.edu>
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Is it possible to compile without linking C++ and fortran?
On Thu, Sep 21, 2017, Timothy Schutt wrote:
>
> 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?
Sorry crays are giving you so much trouble! You can use the "-noemil"
flag to configure to turn off emil compiling. Then, after configure try
going directly to AmberTools/src/sander and typing "make install" (or
perhaps "make parallel" -- I'm travelling right now. That should(!?!) get
you sander.MPI. Please don't be shy about letting us know whether this does
or does not work....
I'm not sure what to do about the cpptraj.MPI problem: maybe Dan will have
a good suggestion.
>
> 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!
If you are lucky, adding the -noemil flag will eliminate this error.
If not, you might try going
to AMBERHOME/AmberTools/src, edit the configure2 script so that it doesn't
exit after the above message.
> 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?
As an aside: thanks for sending the information you have so far: it's pretty
clear that we have let Cray support wither (wasn't that long ago that things
worked there....)
....dac
----- End forwarded message -----
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Received on Thu Sep 21 2017 - 14:00:03 PDT
