[molpro-user] Link Error Altix Itanium2 Compliation

[Nick Wilson]

Dear Joseph,

The undefined references to ga_* would suggest that the location you 
specified for your global arrays libraries (LIBDIR_mpi in CONFIG) is 
incorrect.

The undefined references to e_wsfe etc from lapack are because 
/usr/lib/liblapack has been compiled with g77 and so you will need 
"-lg2c -llapack" in LAPACKLIB in CONFIG. The blas and lapack libraries 
in /usr/lib are not tuned for the itanium architecture. You will achieve 
better performance if you use an optimised blas library such as scs or mkl.

Best wishes,
Nick

Joseph Lane wrote:
> I'm having problems building molpro for parallel execution using mpi. I  
> have no problems with the non parallel version.
> 
> linking /home/jo/install/molpro2002.6/bin/molprop_2002_6_i8_mpi.exe
> link failed
> /opt/intel_fc_80/bin/efc -WB -ftz -r8 -i8 -openmp  
> -Wl,-rpath,/opt/intel_fc_80/lib -Wl,-rpath,/usr/lib -w -O2 -o /hom  
> e/jo/install/molpro2002.6/bin/molprop_2002_6_i8_mpi.exe molver.o 
> molpro.o  -L/home/jo/install/molpro2002.6/lib -lmolp ro -L/usr/lib -lmpi 
> -lgks0  -L/usr/lib -llapack -L/opt/intel/mkl70/lib/64 -L/usr/lib -lmpi 
> -lz -Vaxlib  -lcrypt -lpthr ead
> efc: warning: The Intel Fortran driver is now named ifort.  You can  
> suppress this message with '-quiet'
> /home/jo/install/molpro2002.6/lib/libmolpro.a(licence.o)(.text+0x15da2):  
> In function `licence_check_c':
> : undefined reference to `ga_nnodes_'
> <snip>
> /home/jo/install/molpro2002.6/lib/libmolpro.a(getbs.o)(.text+0x1892): 
> In  function `getbs_':
> : undefined reference to `mdtob_'
> /home/jo/install/molpro2002.6/lib/libmolpro.a(getbs.o)(.text+0x18c2): 
> In  function `getbs_':
> : undefined reference to `ga_brdcst_'
> /usr/lib/liblapack.so: undefined reference to `e_wsfe'
> /usr/lib/liblapack.so: undefined reference to `z_abs'
> /usr/lib/liblapack.so: undefined reference to `c_sqrt'
> /usr/lib/liblapack.so: undefined reference to `s_cmp'
> /usr/lib/liblapack.so: undefined reference to `z_exp'
> /usr/lib/liblapack.so: undefined reference to `c_exp'
> /usr/lib/liblapack.so: undefined reference to `do_fio'
> /usr/lib/liblapack.so: undefined reference to `z_sqrt'
> /usr/lib/liblapack.so: undefined reference to `s_cat'
> /opt/intel_fc_80/lib/libcxa.so.6: undefined reference to `_ReadULEB'
> /usr/lib/liblapack.so: undefined reference to `s_stop'
> /opt/intel_fc_80/lib/libcxa.so.6: undefined reference to `_ReadSLEB'
> /usr/lib/liblapack.so: undefined reference to `c_abs'
> /usr/lib/liblapack.so: undefined reference to `s_wsfe'
> /usr/lib/liblapack.so: undefined reference to `s_copy'
> gmake: *** [bin/molprop_2002_6_i8_mpi.exe] Error 1
> 
> 
> Any help would be greatly appreciated
> 
> Kind regards
> 
>