On Tue, Dec 4, 2012 at 6:48 PM, Marcela Madrid <mmadrid.psc.edu> wrote:
> hi,
>
> I am having trouble installing parallel amber on an
> Intel Xeon X5680. I tried "configure pgi" and the serial part built really
> nice,
> but then for the parallel I did
>
> configure -mpi pgi
>
> and it gave error messages such as:
>
> ncsu-umbrella.F90(814): error #6404: This name does not have a type, and
> must have an explicit type. [NF90_GET_ATT]
> rc = nf90_get_att(setid, nf90_global, 'nextents', nextents)
> --------^
>
You can have your sysadmin install NetCDF somewhere and use the
"--with-netcdf /path/to/netcdf" argument with configure to avoid building
the bundled NetCDF. Some newer PGI compilers may not play nicely with the
older NetCDF bundled with Amber. It would help to know the PGI compiler
version you're trying to use (but I will be of no help testing your build
process, since I don't have access to the PGI compilers).
/tmp/ifortRm6xIO.i90(3604): catastrophic error: Too many errors, exiting
> compilation aborted for ncsu-umbrella.F90 (code 1)
> make[2]: *** [ncsu-umbrella.o] Error 1
> make[2]: Leaving directory `/antonfs/scratch/mmadrid/amber12/src/sander'
> make[1]: *** [parallel] Error 2
>
> Do you know what else can I try? intel and gnu compilers give error
> messages in the serial compilation.
>
If the Intel and GNU compilers give errors in serial, then something is
almost certainly wrong with your environment. We build and test Amber
regularly with GNU and Intel (again, this depends on the compiler
versions). If you are using a cluster (which I presume you are, since you
have access to the PGI compilers), then I would strongly suggest consulting
the documentation and/or admins for instructions on compiling software.
(Or, better yet, ask the admins to install it for you ;)).
You will almost certainly get more specific help trying the Intel and/or
GNU compilers.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 04 2012 - 16:30:02 PST
