Hi Scott,
You don't need the OpenMP version of the SCSL library (libscs_i8_mp) for Molpro, use the non-treaded libscs_i8.so instead.
Are you using SGI ProPack 3.0 on your Altix system? I found out that the license object parse-ia64-unknown-linux-gnu-i8.o is not compatible due to the libc changes in RedHat Advanced Server 3.0.
My configuration is as follows:
% ./configure -mpp -i8 Program will be built for parallel execution Machine architecture is unix unix-i8 unix-linux unix-linux-ia64 Additional compilation pre-processor flags: mpp eaf Do you want to use large files? (y/n, default y)
Using large files
Using Intel Fortran compiler (efc for ia64) 8
searching for blas libraries... found /usr/lib/libblas.so BLASLIB=-lscs_i8 Do wish to use tcgmsg, mpi, or myrinet? [mpi]
Please give the name of the directory containing GA, MA libraries: (default /store/chem/martinh/GA/g-3.2.6/lib/LINUX64):
If you want to use a special wrapper for parallel job startup please specify. (default /sw/sdev/mpt-ia64/1.10/bin/mpirun):
Please give any loader options (-L, -l) needed to access the MPI library Leave blank if you want to use the vendor supplied library on Cray or IBM SP, etc (default -L/sw/sdev/mpt-ia64/1.10/lib -lmpi):
Object library exists Enter max number of atoms [ 200]: Enter max number of valence orbitals [ 300]: Enter max number of basis functions [2000]:
If you wish to use a system BLAS library, please give the maximum level (0, 1, 2, 3, or 4) of BLAS to be supplied by the system If the system blas only supports 32 bit integers, only 0 or 4 can be used 4 is recommended for IBM, SGI, SUN, FUJITSU (default 0): 3 Please give any loader options (-L, -l) needed to access the BLAS library (default -lscs_i8):
Installed binaries directory [/store/chem/martinh/Molpro/work/2002.6_intel80/bin]
Installed auxiliary directory [/store/chem/martinh/Molpro/work/2002.6_intel80/lib/molpro-mpp-Linux-ia64-i8-2002.6]
old CONFIG saved as CONFIG.old parse-ia64-unknown-linux-gnu-i8.o.gz is your object. CONFIG file created; please inspect and edit if necessary before proceeding %
Please let me know if I can be of any further help.
regards,
-Martin
Scott Yockel wrote:
Molpro Users and Support,
I ran into some type of compiler library error (listed below) while compiling MOLPRO and helpful suggestions would be much appreciated. The specs of the machine are as follows:
Molpro2002.6 with all current patches SGI Altix 3000 1.3 GHz Intel Itantium2 processors Intel Fortran 8.0 Compiler RedHat Server Linux for IA64
-------start error--------- /opt/modules/cmplrs/8.0/bin/efc -V -WB -ftz -r8 -i8 -w -O2 -o /home/prinz/molpro2002.6/bin/molpros_2002_6.exe molver.o molpro.o -L/home/prinz/molpro2002.6/lib -lmolpro -lgks0 -lscs_i8_mp -lz -Vaxlib -lc rypt efc: warning: The Intel Fortran driver is now named ifort. You can suppress his message with '-quiet' Intel(R) Fortran Itanium(R) Compiler for Itanium(R)-based applications Version 8.0 Build 20031017 Package ID: l_fc_p_8.0.034 Copyright (C) 1985-2003 Intel Corporation. All rights reserved. FOR NON-COMMERCIAL USE ONLY
GNU ld version 2.14.90.0.4 20030523 Supported emulations: elf64_ia64 elf_i386 i386linux /opt/modules/cmplrs/8.0/lib/libifcoremt.a(tbk_linux.o)(.text+0xf2): In function `tbk_stack_trace': : Using 'dlopen' in statically linked applications requires at runtime the shared libraries from the glibc ver sion used for linking /opt/modules/cmplrs/8.0/lib/libguide.so: undefined reference to `?1__serial_memmove' -------------------end of error-------------------- Thank you for you help.
Scott Yockel University of North Texas Department of Chemistry Masters Hall Room 12
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Martin Hilgeman Chemical Applications Engineering
Phone: +31(0)30-6696885
SGI E-mail: [EMAIL PROTECTED]
The Netherlands URL: http://www.sgi.com/go/chembio
