[CP2K:2729] Digest for cp... at googlegroups.com - 1 Message in 1 Topic

Olexandr Isayev alexand... at gmail.com
Thu May 20 07:38:23 CEST 2010


Hi, Ivaylo!

Which XT5 are you using (Oak Ridge, DoD)? We've succeded with XT5 at NAVO.
I can send you my config file as soon as I will back to my office.

Sincerely,
Olexandr

On Tue, May 18, 2010 at 11:22 PM,
<cp2k+n... at googlegroups.com<cp2k%2B... at googlegroups.com>
> wrote:

>   Today's Topic Summary
>
> Group: http://groups.google.com/group/cp2k/topics
>
>    - [CP2K:2723] compiling on XT5<https://mail.google.com/mail/?ui=2&view=js&name=js&ver=gh3kB2fEQJQ.en.&am=!23DK3ESduXyRZd3VEfQ0XhUnPlparPte54MQUB77YZk2vwoP&fri#128aecc3facbca40_group_thread_0>[1 Update]
>
>  Topic: [CP2K:2723] compiling on XT5<http://groups.google.com/group/cp2k/t/58fbd07fb47dedab>
>
>    ivaylo <ivo6i... at gmail.com> May 18 04:54PM -0700 ^<https://mail.google.com/mail/?ui=2&view=js&name=js&ver=gh3kB2fEQJQ.en.&am=!23DK3ESduXyRZd3VEfQ0XhUnPlparPte54MQUB77YZk2vwoP&fri#128aecc3facbca40_digest_top>
>
>    Hi all,
>    Has anyone encountered the following when trying to compile on Cray
>    XT5?
>
>    ------------------
>    ftn -c -freeform -I/opt/fftw/3.1.1/cnos/include/
>    qs_integrate_potential.f90
>    /opt/cray/xt-asyncpe/3.7/bin/ftn: INFO: linux target is being used
>
>    MODULE qs_integrate_potential
>    ^
>    pathf95-855 pathf90-3.2.99: ERROR QS_INTEGRATE_POTENTIAL, File =
>    qs_integrate_potential.f90, Line = 30, Column = 8
>    The compiler has detected errors in module
>    "QS_INTEGRATE_POTENTIAL". No module information file will be created
>    for this module.
>
>    CALL dbcsr_distribution_make_threads(dist)
>    ^
>    pathf95-1688 pathf90-3.2.99: ERROR INTEGRATE_V_RSPACE, File =
>    qs_integrate_potential.f90, Line = 869, Column = 42
>    Because dummy argument DIST is volatile, this actual argument is not
>    allowed
>
>    CALL dbcsr_distribution_make_threads(dist)
>    ----------------
>    Thanks,
>    Ivaylo
>
>
>    Compiling with pathscale on XT5 and the following settings:
>    -------------------
>    CC = cc
>    CPP = cpp
>    FC = ftn
>    LD = ftn
>    AR = ar -r
>    DFLAGS = -D__XT5 -D__FFTW3 -D__FFTSG -D__parallel -D__BLACS -
>    D__SCALAPACK -D__NO_STATM_ACCESS
>    CPPFLAGS = -traditional -C $(DFLAGS) -P -I/opt/fftw/3.1.1/cnos/include
>    FCFLAGS = -freeform -I/opt/fftw/3.1.1/cnos/include
>    LDFLAGS = $(FCFLAGS) -static
>    LIBS = -L/opt/fftw/3.1.1/cnos/lib -lfftw3 -lfftw3f
>    -------------------
>
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