[Wien] Compiling Wien under Linux on PowerPC
Dr. Grigori V. Vajenine
G.Vajenine at fkf.mpg.de
Fri Oct 6 11:29:56 CEST 2006
Dear All,
I have some problems installing the latest version of Wien on our computer:
IBM JS20 PPC 970 Power Blades
System: SLES 8 for PowerPC
Compilers: xlf version 8.1, xlc version 6.0
memory 4GB
Following compiling options were used (file OPTIONS):
current:FOPT:-O3 -w -qarch=auto
current:FPOPT:-O5 -qarch=pwr5 -q64
current:LDFLAGS:-L../SRC_lib
current:DPARALLEL:'-WF,-DParallel'
current:R_LIBS:-lessl -llapack_lapw
current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas
-lredist -ltools -lscalapack -lfblacs -lblacs -lmpi
compilation resulted in a few error messages by compiling the source in
SRC_aim, SRC_broadening, SRC_eosfit6, and SRC_pairhess (the compile.msg
files are attached)
it was suggested to me that the program should still run though some
functions (e.g. charge distribution) would not work.
most program parts indeed appear to run (using the standard TiC case as
an example), except for nn, kgen, and lapw2, which all produce
segmentation fault (lapw0 and lapw1 do run); no errors were reported by
compiling these programs however!
the first two (nn and kgen) run normally if compiled with -O0 in the
first line of options, but in the case of lapw2 this does not help.
another suggestion was we should update our compilers (e.g. to xlf 9.1
with SLES 9). Before we do this (it means some work for our system
administrator and interruptions for other users) I wanted to ask for
your opinion if the update is likely to help. Other suggestions are also
welcome!
Thanks in advance!
Regards,
Grigori Vajenine
MPI-FKF
Stuttgart
Email: G.Vajenine at fkf.mpg.de
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