[gmx-users] Reading XTC files from fortran90

[Jones de Andrade]

Hi Bert.

Thank you for the prompt answer.

Just did as instructed, but got the following:

CruNumMac src/own/B/9/xtc 286% ifort xtciof.f90 test_xtc.f90
-L/home/johannes/src/own/B/9/xtc/xtc/ -lxrdf -lg2c
IPO link: can not find -lxrdf
ifort: error: problem during multi-file optimization compilation (code 1)

Looks better, in the sense that the number of error messages was reduced.
But still doesn't accept to link to the xrdf library.

Tried that with and without re-make of the library (strange fact that the
SGI arch is to be used in linux) and also tried to say -llibxrdf instead of
-lxrdf. Nothing worked.

Have you or someone come across such an error before? Any clue of what can
possibly be going wrong?

Thanks a lot in advance...

Sincerally yours,

Jones

On 9/29/07, Bert de Groot <bgroot at gwdg.de> wrote:
>
> Hi,
>
> try:
>
> download
> http://www.mpibpc.gwdg.de/groups/de_groot/xtc.tar.gz
>
> (and optionally issue a 'make' in the xtc directory after unpacking)
>
> in the linking stage, use something like
>
> ifort -blabla -lxdrf -L/wherever/xtc -lg2c
>
> your smalll test code looks OK apart from the fact that I don't know what
> happens if you read&write from the same file.
>
> Bert
>
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