[CPMD-list] UNSUCCESFUL IBM-SP4 COMPILATION

Jose Luis Rodriguez-Lopez jlr at che.utexas.edu
Tue Aug 27 00:44:53 CEST 2002


Hi there.
I've been trying to compile the code v3 on a system IBM-SP4, and i have
no compilation success.
First, the options that come in the Config file are just SP2 and SP3,
whenever i use both, the result is the same: the lack of the LAPACK
library.
When i recompile without this flag and use instead  the PESSL flag
and the option mpxlf_r -O3 the error message is:

...
...  mm_cpmd_ext_pot_f77.o  sysdepend.o shmemory.o -lpessl
-bbinder:/usr/lib/bind -bmaxdata:1024000000
ld: 0711-317 ERROR: Undefined symbol: .dscal
ld: 0711-317 ERROR: Undefined symbol: .dswap
ld: 0711-317 ERROR: Undefined symbol: .dcopy
...
...
...
ld: 0711-317 ERROR: Undefined symbol: .idamin
ld: 0711-317 ERROR: Undefined symbol: .dgeev
ld: 0711-345 Use the -bloadmap or -bnoquiet option to obtain more
information.
make: 1254-004 The error code from the last command is 8.
Stop.

These is a sample of a makefile, under pwr2 architecture

#------------------------------MAKEFILE---------------------------------

#
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: IBM-SP2
# Creation of Makefile: Aug 26 2002
# on AIX longhorn1 1 5 0023E2EA4C00
# Author: puma
#-----------------------------------------------------------------------

#
SHELL = /bin/sh
#
#--------------- Default Configuration for IBM-SP2 ---------------
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -qmaxmem=8192 -qarch=pwr2
LFLAGS =  -lpessl -bbinder:/usr/lib/bind -bmaxdata:1024000000
$(QMMM_LIBS)
CFLAGS = -O3
CPP = /usr/ccs/lib/cpp -P
CPPFLAGS = -D__IBM  -DPARALLEL -DMP_LIBRARY=__MPI -DFFT_ESSL
CC = cc
FC = mpxlf_r -c -O3
LD = mpxlf_r -O3
AR = /usr/bin/ar
#----------------------------------------------------------------------------

#

DOES ANYONE HAVE ANY IDEA TO HELP?
THANKS AND BEST REGARDS

--
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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