[Wien] Compiling problem

[Enrique Lomba]

group hpc wrote:
> Dear Wien users,
> 
> I'm having a problem when trying to install Wien2k on a Fedora 1
> x86_64 under Dual processors AMD Opteron  system with pathscale
> compiler (pathf90, pathfcc, mpif90).
> 
> Here's my siteconfig file:
> current:FOPT:-O -freeform
> current:FPOPT:-O -freeform
> current:LDFLAGS:-L../SRC_lib
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw
> current:RP_LIBS:-L/usr/local/lib -L/usr/local/mpich_pathscale/lib -lmpich
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> 
> I got a list of errors, pls help:
> 
> wfpnt.o(.text+0xfa): In function `wfpnt_':
> : undefined reference to `pzgemr2d_'
> wfpnt1.o(.text+0x130): In function `wfpnt1_':
> : undefined reference to `pzgemr2d_'
> pdsyr2m.o(.text+0x165): In function `pdsyr2m_':
> : undefined reference to `blacs_gridinfo__'
> pdsyr2m.o(.text+0x33f): In function `pdsyr2m_':
> : undefined reference to `pdsyr2k_'
> pdsyr2m.o(.text+0x438): In function `pdsyr2m_':
> : undefined reference to `pdgemm_'
> pdsyr2m.o(.text+0x659): In function `pdsyr2m_':
> : undefined reference to `pdsyr2k_'
> pdsyr2m.o(.text+0x752): In function `pdsyr2m_':
> : undefined reference to `pdgemm_'
> pzher2m.o(.text+0x23a): In function `pzher2m_':
> : undefined reference to `blacs_gridinfo__'
> pzher2m.o(.text+0x3de): In function `pzher2m_':
> : undefined reference to `pzgemm_'
> pzher2m.o(.text+0x5b7): In function `pzher2m_':
> : undefined reference to `pzgemm_'
> pzher2m.o(.text+0x786): In function `pzher2m_':
> : undefined reference to `pzher2k_'
> pzher2m.o(.text+0x886): In function `pzher2m_':
> : undefined reference to `pzgemm_'
> pzher2m.o(.text+0xa2f): In function `pzher2m_':
> : undefined reference to `pzsyr2k_'
> pzher2m.o(.text+0xbeb): In function `pzher2m_':
> : undefined reference to `pzher2k_'
> pzher2m.o(.text+0xce3): In function `pzher2m_':
> : undefined reference to `pzgemm_'
> pzher2m.o(.text+0xe8a): In function `pzher2m_':
> : undefined reference to `pzsyr2k_'
> collect2: ld returned 1 exit status
> make[1]: *** [lapw1c_mpi] Error 1
> 
> 
> Regards,
> James
> HPC
> Email: hpc.group at gmail.com
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
Hello,
I am afraid you need a bunch of extra libraries for that to work.
at least you need
-lscalapack  -lfblacs -lblacs -lcblacs (the names might be slightly 
different depending on your system)
from the BLACS and SCALapack libraries. In any case, I managed to get 
the MPI version to work for WIEN2K_01 (with quite some work) but since 
_03 I gave up. Hope you are luckier !!
	Regards,
		Enrique

-- 
--------------------------------------------------------------
Enrique Lomba
Instituto de Quimica Fisica Rocasolano, CSIC
C/ Serrano 119, 28006 Madrid, Spain

FAX no. 34-915642431
Phone no. 34-915619407 (ext 1301)
e-mail : E.Lomba at iqfr.csic.es
www : http://www.qft.iqfr.csic.es/personal/enrique/