|
Dear Molpro users,
I tried to build parallel molpro 2002.6 executable,
but compilation was failed at linking.
My system: Dual Xeon workstation under redhat
8.0 (2.4.18-14bigmem), Intel fortran compiler 8.1, Global Arrays 3.3.1. I run
configuration script like this:
[EMAIL PROTECTED] molpro2002.6]# ./configure
-mpp
Building program for processor type=p4
Program may not run on amd64/athlon/p3 systems You can choose another processor type using the amd64|athlon|p3 options Program will be built for parallel
execution
Machine architecture is unix unix-i4 unix-linux Additional compilation pre-processor flags: mpp eaf File size greater than 2GB allowed
Using Intel Fortran compiler (ifc for ia32) version 8 searching for blas libraries...
blaslibold=
plese select blas library from above list (default ): lib=
searching for lapack library...
plese select lapack library from above list
(default ): Do wish to use tcgmsg, mpi, or myrinet?
[tcgmsg]
Please give the name of the directory containing
GA, MA libraries:
(default ): /tmp/g/lib/LINUX If you want to use a special wrapper for parallel job startup please specify. (default /tmp/g/tcgmsg/ipcv4.0/parallel): Please enter your licence key
(default ): id=as,modules=doc,version=:2002,date=:2007/10/21,mpp=8&SZqWv7CLRo7iU1vS 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) of BLAS to be supplied by the system (default 0): Installed binaries directory
[/usr/local/bin]
/usr/local/molpro2002.6/bin Installed auxiliary directory [/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6] /usr/local/molpro2002.6/lib parse-i686-pc-linux-gnu-i4.o.gz is your object. CONFIG file created; please inspect and edit if necessary before proceeding Then compilation was Ok, but linking was
failed with error message:
linking
/usr/local/molpro2002.6/bin/molprop_2002_6_i4_tcgmsg.exe
link failed /opt/intel_fc_80/bin/ifc -pc 64 -auto -autodouble -Vaxlib -w -O3 -Wl,-rpath,/opz ifc: warning: The Intel Fortran driver is now named ifort. You can suppress th' /tmp/g/lib/LINUX/libtcgmsg.a(pbeginf.o): In function `pbeginf_': pbeginf.o(.text+0x8): undefined reference to `f__xargv' pbeginf.o(.text+0xe): undefined reference to `f__xargc' /tmp/g/lib/LINUX/libpario.a(eaf.o): In function `eaf_print_stats': eaf.o(.text+0x256): undefined reference to `__fixunsdfdi' make: *** [bin/molprop_2002_6_i4_tcgmsg.exe] Error 1 I expect that something may be wrong with my
Global Arrays libraries, but they seem to be installed properly.
If you have any suggestion in solving this problem,
your help will be greatly appreciated.
Thanks.
Vadim V.Kislov
Postdoctoral Research Associate, Department of Chemistry and Biochemistry, Florida International University 11200 SW 8th Street, Miami, FL 33199 e-mail: [EMAIL PROTECTED] tel: 305-348-1945 |
