[molpro-user] Linking error when installing molpro on P4 using IFC

Yuxin Zhuang yuxinzhuang at cnic.cn
Thu Jul 12 02:33:47 BST 2007

Hi Mehdi and Alexander,thanks for your reply. You're right, the error about
the -lgloble is caused by the wrong location of the globle arrays lib.

Then I take Mehdi's advice to compile the serial vertion of the molpro
firse. But there is some error too.

I comfigured the BLAS as follows : 


-L /share/apps/molpro/mkl/lib/32 -I /share/apps/molpro/mkl/include
-lmkl_solver -lmkl_lapack -lmkl_ia32 -lguide -lpthread


Then I got the error like this :


linking /share/apps/molpro/molpro2002.6/bin/molpros_2002_6_i4_p4.exe

link failed

/share/apps/molpro/ifc90/bin/ifc -pc 64 -auto -autodouble -Vaxlib
-I/share/apps/molpro/mkl/include -w -O3
-Wl,-rpath,/share/apps/molpro/ifc90/lib -openmp -o
/share/apps/molpro/molpro2002.6/bin/molpros_2002_6_i4_p4.exe molver.o
molpro.o -L/share/apps/molpro/molpro2002.6/lib -lmolpro -lgks0 -L
/share/apps/molpro/mkl/lib/32 -lmkl_solver -lmkl_lapack -lmkl_ia32 -lguide
-lpthread -lz

/share/apps/molpro/mkl/lib/32/libmkl_ia32.a(_dlarfx_fb.o): In function

_dlarfx_iface.c:(.text+0x0): multiple definition of `dlarfx_'

0xbb14): first defined here

ld: Warning: size of symbol `dlarfx_' changed from 12 in
/share/apps/molpro/molpro2002.6/lib/libmolpro.a(lapack2.o) to 298 in

make: *** [bin/molpros_2002_6_i4_p4.exe] Error 1


How can the 'dlarfx' be defined multiple times? I tried to remove the libs (
mkl_solver, mkl_lapack, mkl_ia32, guide) one by one, the result shows that
they are all necessary. :-(  Which part goes wrong?


Thanks very much.


Yuxin Zhuang




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