config file for Huygens
Posted: Wed May 23, 2012 1:53 pm
Below is a functional .ac file for the huygens supercomputer (IBM xlf P6 chips) at SARA in the Netherlands, along with a list of loaded modules. xlf 12.1 has some problems with optional arguments, and xlf13.1 looks much better.
One tweak was necessary, and has been fixed in development version 6.15.0: the compiler wrapper links with the source file at the end of the command line, which is incorrect for xlf (it looks for libraries to link with only _after_ the source file). This makes some of the configures for the fallbacks fail. The patch is the following:
Almost all tests pass (some fancy PAW + phonons or DDK and several AIM tests do not ).
Modules loaded:
huygens.ac
One tweak was necessary, and has been fixed in development version 6.15.0: the compiler wrapper links with the source file at the end of the command line, which is incorrect for xlf (it looks for libraries to link with only _after_ the source file). This makes some of the configures for the fallbacks fail. The patch is the following:
--- config/wrappers/wrap-fc.in 2011-12-19 20:53:13 +0000
+++ config/wrappers/wrap-fc.in 2012-05-22 11:33:42 +0000
@@ -121,8 +121,8 @@
# DEFS should not be included anymore, since they may trigger
# another preprocessing from the buggy compiler
- echo "${FC} ${FCFLAGS} ${INCLUDES} ${fc_cpp}"
- ${FC} ${FCFLAGS} ${INCLUDES} ${fc_cpp}
+ echo "${FC} ${fc_cpp} ${FCFLAGS} ${INCLUDES}"
+ ${FC} ${fc_cpp} ${FCFLAGS} ${INCLUDES}
fc_ret="${?}"
if test "${fc_debug}" = "no" -a "${fc_ret}" = "0"; then
rm ${fc_cpp}
Almost all tests pass (some fancy PAW + phonons or DDK and several AIM tests do not ).
Modules loaded:
Currently Loaded Modulefiles:
1) python/2.5.1 5) c++/ibm/11.1 9) valgrind/3.6.1
2) fftw3/3.3 6) c/ibm/11.1 10) vampirtrace/5.8.2
3) netcdf-mp/4.1.2 7) papi/4.1.1 11) hpct/5.1.1.3
4) fortran/ibm/13.1 8) totalview/8.9.2-0
huygens.ac
enable_64bit_flags="yes"
enable_optim="yes"
CPP="/usr/bin/cpp"
CC="mpcc"
CFLAGS="-qlanglvl=extc99 -O3 -q64 -qspill=2000 -qarch=pwr6 -qtune=auto -qcache=auto -qstrict -qsuppress=1520-031:1520-003"
CXX="mpCC"
FC="mpfort"
FCFLAGS="-O3 -q64 -qzerosize -qfree -qstrict -qhot -qarch=pwr6 -qtune=auto -qsuppress=1520-031:1520-003 -qmaxmem=-1 -qcache=auto" #" -
qessl -qipa"
enable_fc_wrapper="yes"
AR="ar"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_level="2"
MPI_RUNNER="/usr/bin/poe"
with_trio_flavor="netcdf" #"+fox"
with_netcdf_incs="-I/sara/sw/netcdf/4.1.2/include"
with_netcdf_libs="-L/sara/sw/netcdf/4.1.2/lib -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/sara/sw/fftw3/3.3/include"
with_fft_libs="-L/sara/sw/fftw3/3.3/lib -lfftw3"
with_linalg_flavor="netlib"
with_linalg_libs="-L/sara/sw/lapack/3.4.1/CCI/xlf13.1/lib/ -llapack -lessl "
with_dft_flavor="atompaw+libxc" #+wannier90"
enable_clib="yes"
enable_gw_dpc="yes"
enable_memory_profiling="no"
enable_maintainer_checks="no"
enable_test_timeout="yes"
with_fc_vendor="ibm"
with_fc_version="13.1"
enable_gui_build="no"
