FFTSGL compile

[Ben Levine]

For completeness:  Iain Bethune submitted a patch which fixes my
problem.  I'm now looking into the CUDA compile to see if it's
working.  Thanks Iain!

On Feb 9, 6:23 pm, Ben Levine <ben.l... at gmail.com> wrote:
> Okay, well, I seem to have found the problem.  Once I get things
> cleaned up and tested I'll send a patch.
>
> On Feb 5, 5:38 pm, Ben Levine <ben.l... at gmail.com> wrote:
>
> > Hi Guys,
> > As mentioned in another thread, I'm once again working with the CUDA
> > capable version of CP2K.  Unfortunately, it's been a long time since I
> > last ran it and I'm having some difficulties.  I'm working with the
> > most recent version out of CVS.  I compiled a serial version of the
> > code successfully with -D__FFTSGL (with or without -D__CUDA).
> > However, when I run the executables my jobs die with a seg fault after
> > printing the line:
>
> > GLOBAL| This output is from
> > process                                           0
>
> > I'm using the benchmark jobs from cp2k/tests/benchmarks as test runs
> > (specifically H2O-64.inp and H20-512.inp).  I have reproduced this
> > error on two machines, though I use a very similar arch file on both.
> > I've included one below.  Simply removing -D__FFTSGL yeilds a fully
> > functioning double precision executable.  I wonder if anyone has an
> > idea what is the problem, and if others can reproduce this problem.
> > Thanks for your time!
>
> > Ben
>
> > # by default some intel compilers put temporaries on the stack
> > # this might lead to segmentation faults is the stack limit is set to
> > low
> > # stack limits can be increased by sysadmins or e.g with ulimit -s
> > 256000
> > # furthermore new ifort (10.0?) compilers support the option
> > # -heap-arrays 64
> > # add this to the compilation flags is the other options do not work
> > # The following settings worked for:
> > # - AMD64 Opteron
> > # - SUSE Linux Enterprise SIerver 10.0 (x86_64)
> > # - Intel(R) Fortran Compiler for Intel(R) EM64T-based applications,
> > Version 10.0
> > # - AMD acml library version 3.6.0
> > # - MPICH2-1.0.5p4
> > # - FFTW 3.1.2
> > #
> > PERL     = perl
> > CC       = gcc
> > CPP      = cpp
> > FC       = /opt/intel/fce/10.0.025/bin/ifort -FR
> > LD       = /opt/intel/fce/10.0.025/bin/ifort -i-static -openmp
> > AR       = ar -r
> > #DFLAGS   = -D__INTEL -D__FFTMKL -D__FFTSG
> > DFLAGS   = -D__INTEL -D__FFTSG -D__FFTSGL -D__FFTW3
> > CFLAGS   =  -O2
> > CPPFLAGS = -traditional -C $(DFLAGS) -P -I/opt/intel/mkl/10.0.1.014/
> > include/fftw -I/opt/intel/mkl/10.0.1.014/include/
> > FCFLAGS  = $(DFLAGS) -O2 -xW
> > MKLPATH  = /opt/intel/mkl/10.0.1.014/lib/em64t/
> > LDFLAGS  = $(FCFLAGS)
> > LIBS     = -L$(MKLPATH)\
> >            $(MKLPATH)/libmkl_em64t.a\
> >            $(MKLPATH)/libmkl_lapack.a\
> >            $(MKLPATH)/libguide.a\
> >            /usr/local/lib/libfftw3f.a\
> >            -lpthread
>
> > OBJECTS_ARCHITECTURE = machine_intel.o