[molpro-user] Molpro 2012.1 installation problem,

[c00jsh00 at nchc.narl.org.tw]

Dear Molpro users,

I am building Molpro 2012.1 executables from source, and get the following error
message at the final stage:
...
make[4]: Leaving directory `/work/chem/Molpro/src'
compiling molver.F90
make[3]: Leaving directory `/work/chem/Molpro/src'
linking ../bin/molpro.exe
failed
../lib/libmolpro.a(drv_pot.o): In function `drv1_pot_':
drv_pot.F:(.text+0x23c3): undefined reference to `xrys2d_'
../lib/libmolpro.a(drv_pot.o): In function `potintd_':
drv_pot.F:(.text+0x302c): undefined reference to `xrys2d_'
../lib/libmolpro.a(efint.o): In function `efint_':
efint.F:(.text+0x76d): undefined reference to `xrys2d_'
../lib/libmolpro.a(naint.o): In function `naint_':
naint.F:(.text+0x1343): undefined reference to `xrys2d_'
../lib/libmolpro.a(potint.o): In function `potint_':
potint.F:(.text+0x67f): undefined reference to `xrys2d_'
../lib/libmolpro.a(efprm.o):efprm.F:(.text+0x61b): more undefined references to `xrys2d_' follow
make[2]: [../bin/molpro.exe] Error 1 (ignored)
failure
../lib/libmolpro.a(drv_pot.o): In function `drv1_pot_':
drv_pot.F:(.text+0x23c3): undefined reference to `xrys2d_'
../lib/libmolpro.a(drv_pot.o): In function `potintd_':
drv_pot.F:(.text+0x302c): undefined reference to `xrys2d_'
../lib/libmolpro.a(efint.o): In function `efint_':
efint.F:(.text+0x76d): undefined reference to `xrys2d_'
../lib/libmolpro.a(naint.o): In function `naint_':
naint.F:(.text+0x1343): undefined reference to `xrys2d_'
../lib/libmolpro.a(potint.o): In function `potint_':
potint.F:(.text+0x67f): undefined reference to `xrys2d_'
../lib/libmolpro.a(efprm.o):efprm.F:(.text+0x61b): more undefined references to `xrys2d_' follow
make[2]: *** [../bin/molpro.exe] Error 1
make[2]: Leaving directory `/work/chem/Molpro/src'
make[1]: *** [default] Error 2
make[1]: Leaving directory `/work/chem/Molpro/src'
make: *** [src] Error 2


There is an undefined reference to xrys2d, any one has an idea where does the xrys2d come from?
My configure command is

./configure -auto-ga-mvapich2ib   -Block   -i8 -icc -ifort -j 4 -mpp   -x86_64

Thanks for your help.

Regards

Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC