[CPMD-list] Update to previous question

[Alex Merchant]

Hi Again,

I edited the Makefile pertinent to the available compilers (see http://www.vpac.org/content/systems_and_support/support/how_to/edda_start.php for details).

I've made a mkefile with the following:

#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: IBM-SP4-SMP-64
# Creation of Makefile: Apr 19 2005
# on Linux edda 2.6.5-7.145-pseries64 #1 SMP Thu Jan 27 09:19:29 UTC 2005 ppc64 ppc64 ppc64 GNU/Linux
# Author: alex
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for IBM-SP5-SMP-64 ---------------
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -O3 -qstrict -q64 -qmaxmem=64536 -qtune=pwr5 -qarch=pwr5 -qsmp=omp
LFLAGS = -L/usr/local/lapack -llapack -lesslsmp -llapack -q64 \
             -bbinder:/usr/lib/bind -bmaxdata:32768000000 -qarch=pwr5 -qsmp=omp $(QMMM_LIBS)
CFLAGS = -O3 -qstrict -qarch=pwr5
LFLAGS = -L/usr/local/lapack -llapack -lesslsmp -llapack -q64 \
             -bbinder:/usr/lib/bind -bmaxdata:32768000000 -qarch=pwr5 -qsmp=omp $(QMMM_LIBS)
CFLAGS = -O3 -qstrict -qarch=pwr5
CPP = /usr/local/IBM_compilers/vacpp/7.0/bin/xlc++ -P 
CPPFLAGS = -D__IBM -DLAPACK -DPOINTER8 -DPARALLEL=PARALLEL -DMP_LIBRARY=__MPI -DFFT_ESSL
NOOPT_FLAG =CC = xlc_r
FC = xlf_r -c -O3 -qstrict
LD = xlf_r -O3 -qstrict
AR = /usr/bin/ar
#----------------------------------------------------------------------------
CFGDEST = .
CFGMACH = IBM-SP5-SMP-64
#
#  LIST OF FILES
[etc]

The output I get from the compiler is:

xlf_r -c -O3 -qstrict -O3 -qstrict -q64 -qmaxmem=64536 -qtune=pwr5 -qarch=pwr5 -qsmp=omp  ./cpmd.f -o  ./cpmd.o
** cpmd_stuttgart   === End of Compilation 1 ===
"./cpmd.f", line 25.12: 1513-039 (S) Number of arguments is not permitted for the INTRINSIC procedure "signal".
"./cpmd.f", line 26.12: 1513-039 (S) Number of arguments is not permitted for the INTRINSIC procedure "signal".
** cpmd   === End of Compilation 2 ===
1501-511  Compilation failed for file cpmd.f.
make: *** [cpmd.o] Error 1

Alex Merchant

==
Dr Alex Merchant,
AIP (Vic) Hon. Secretary
Double Degree Coordinator Phys/Eng BP007/BP008
Lecturer, Applied Physics, RMIT

phone: 9925 3388, fax: 9925 5290
mail: GPO Box 2476V, Melbourne 3001 Vic, Australia.

"life ... a race between education and disaster", H.G.Wells

Applied Physics is a member of the School of Applied Sciences
within the SET Portfolio at RMIT.