CPMD compilation for amd64 dual-opteron
Is there any experience with Fortran compiling
CPMD code for parallelized plane wave/pseudopotential
implementation of DFT
for debian amd64 etch running on multiple dual-opteron
It is said that neither Fortran 77, nor 95 suffice,
while great warns are raised on extreme difficulty of
getting CPMD to run in parallel. In fact, as far as
dual-opteron is concerned, extra confiduration files
are offered at the web site
for only serial runs.
What is emphasized is that CPMD makes heavy use of
'Cray Pointer' extension to Fortran 77 for dynamical
memory management. I.e. it has no internal engine for
parallelization, which may make headhaches. What about
the gfortran 4.2 compiler that I heard performs very
well on opterons?
What I have are Fortran77, Fortran95, and Intel iFort.
I believe I can found gfortran 4.2, while I can't
consider anything more.
Thanks for advice
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