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Known problems and tips for Dirac

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Optimized BLAS libraries
Problems on IBM AIX
Installation on Mac OS X with xlf

Optimized BLAS libraries

BLAS-routines.
A reference implementation of the BLAS routines used is provided but we recommend installing an optimized version. Configure will try to locate such a library, if it does not find it we strongly advise you to install the atlas package that provides a robust and fast self-optimizing implementation of these BLAS routines.

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Problems on IBM AIX

Namelist input under AIX
There have been some problems with NAMELIST on IBM. There are two solutions
1. Instead of terminating your namelist input with &END use a /. Example
  &RELCCSD NELEC=5,5, TIMING=T, DOENER=F /
2. Set the environment variable XLFRTEOPTS. Example:
  % setenv XLFRTEOPTS 'NAMELIST=OLD'
  The namelist input:
  &RELCCSD NELEC=5,5, TIMING=T, DOENER=F &END
Problems with MPI on AIX
On one machine we found a problem with the linking of the MPI libraries on AIX. If your parallel runs fails with a MPI error message after having read the input, the problem is probably that you have made a 64-bit executable that is linked with a 32-bit MPI library. Currently we have no easy solution to the problem, please report to the mailing list for advice if you encounter this problem.

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Installation on MacOsX

XLF compiler
On Mac OS X it is recommended to use the xlf compiler if available. A problem is that the configure script may not find the appropriate libraries and produce an incorrect Makefile.config file. There easiest solution is to replace the first lines of the Makefile.config file by

ARCH        = i370-ibm-aix5.0
#
#
WRKMEM      = 50000000
DEPEND_FLAGS= -WF -DPRG_DIRAC -DSYS_AIX -DVAR_MFDS -D'INSTALL_WRKMEM=${WRKMEM}' -WF -Iinclude
CPP_FLAGS   = -WF,-DPRG_DIRAC,-DSYS_AIX,-DVAR_MFDS,-D'INSTALL_WRKMEM=${WRKMEM}',${MODS_IBM}
CCP_FLAGS   = -DSYS_AIX -D'INSTALL_WRKMEM=${WRKMEM}'
F77         = xlf
CC          = cc
RM          = -rm
AR          = ar
ARFLAGS     =  rv
OPTFLAGS    = -O3 -qstrict -qextname -q64
OPTGFLAGS   = -g -O3 -qstrict -qextname -q64
OPTIFLAGS   = -E
C_OPTFLAGS  = -O3 -qstrict -q64
LDFLAGS     = -framework vecLib
CHEKFLAGS  = -nopure -nopretty -nocommon -nousage -noarray -notruncation -quiet \
 -noargumants -arguments=number \
 -usage=var-unitialized
# -usage=var-unitialized:arg-const-modified:arg-alias
# -usage=var-unitialized:var-set-unused:arg-unused:arg-const-modified:arg-alias
INCLUDE_DIR = -WF,-Iinclude
C_INCLUDE_DIR = -Iinclude
LIB_LIST    =

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