[molpro-user] SGI Altix Itanium2 compiler problem

Martin Hilgeman hilgeman at sgi.com
Thu Jul 8 08:31:52 BST 2004

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
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):
Please give any loader options (-L, -l) needed to access the BLAS library
(default -lscs_i8):

Installed binaries directory 

Installed auxiliary directory 

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.



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.
> GNU ld version 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

Martin Hilgeman                    Chemical Applications Engineering
                                    Phone:  +31(0)30-6696885
SGI                                E-mail: hilgeman at sgi.com
The Netherlands                    URL:    http://www.sgi.com/go/chembio

More information about the Molpro-user mailing list