[CPMD-list] PGF90 64bit version / Opteron 64b / MALLOC / memory.F problem

[Axel Kohlmeyer]

On Mon, 5 Apr 2004, Miroslav Capkovic wrote:

MC> 
MC> Hello,
MC> 
MC> I have problemm running CPMD v. 3.7.2 (3.7.1 also) on 64b opteron
MC> machine. Code fails with MPI User Abort message. The output file
MC> claims that problem with memory allocation on each processor.
MC> 
MC> I have used both -DPOINTER8 and -DMALLOC8 defines on the mpif90
MC> command line as it is in the my Makefile attachment. The probem in
MC> the CPMD code fails in memory.F module, when malloc() returns negative
MC> number. Because i'm not a fortran guru i have no idea what is a problem.

try without -DMALLOC8. works fine for me and others.
malloc with the x86_64 pgi compiler seems to be limited
to 2GB anyways.

axel kohlmeyer.

MC> 
MC> 
MC> 
MC> 
MC> Thanx, Miro
MC> 
MC> ------------------------------------- Makefile --------------------------
MC> 
MC>  ...
MC> 
MC> 
MC> 
MC> FFLAGS = -Mr8 -pc 64  -Msignextend  -DMALLOC8 -DPOINTER8
MC> LFLAGS = -L $(LIBACMLDIR)  $(QMMM_LIBS)
MC> CFLAGS =
MC> CPP = /lib/cpp -P -C -traditional
MC> CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DMALLOC8 -DPOINTER8\
MC>                -DPARALLEL -DMP_LIBRARY=__MPI -DMYRINET
MC> NOOPT_FLAG =
MC> CC = mpicc -O2 -Wall
MC> FC = mpif90 -c -fast
MC> LD = mpif90 -fast
MC> AR =
MC> 
MC> 
MC>  ...
MC> 
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MC> 
MC> 

-- 


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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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