[CPMD-list] IBM-P690/Pwr4

[Jose Luis Rodriguez-Lopez]

Dear all.
Thanks to Alessandro Curioni and Thomas Steinke for their helpful
comments.
After some alterations to the compilation options   because of the
system's local configuration (see below) the  compilation of the cpmdv3
was  succesful on an IBM-P690/pwr4 system.
Just some comments about it.
(i) Compilation of the c funtions are not possible with the pwr4
architecture, changed to pwr3.
(ii) The loading with -q64 option for all functions didn't work; the c
function  objects can only be linked with -q32; both (i) and (ii) are
not allowed by  the current version of the compiler.
(iii) The lapack libraries were installed somewhere, the calling to
another (lapack_RS6K.a) was necessary.
In case someone need it, i attached the options.
Best regards
JoseLuis


******************* Compilation Options IBM-P690 pwr4
configuration***********
CCI_DIR = /usr/local/apps/lapack/lib
FFLAGS =  -qmaxmem=32768 -qarch=pwr4 -qtune=pwr4
LFLAGS = -L$(CCI_DIR) $(CCI_DIR)/lapack_cci_r.a\
  $(CCI_DIR)/lapack_RS6K.a -lessl_r -lm\
   -bbinder:/usr/lib/bind -bmaxdata:0x40000000 -qarch=pwr4 $(QMMM_LIBS)
CFLAGS = -O -qarch=pwr3 -qtune=pwr3
CPP = /usr/ccs/lib/cpp -P
CPPFLAGS = -D__IBM  -DLAPACK -DESSL -DPOINTER8 -DPARALLEL
-DMP_LIBRARY=__MPI -DFFT_ESSL
CC = cc
FC = mpxlf_r -c
LD = mpxlf_r
AR = /usr/bin/ar
****************************************************************************

--
J.L. Rodriguez-Lopez
Texas Materials Institute
The University of Texas at Austin
ETC 8.180 Austin, Texas 78712-1063
Phone: (512) 471-3578
Fax: (512) 475-8482


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