error when compiling vasp46

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nancyllan

error when compiling vasp46

#1 Post by nancyllan » Mon Sep 18, 2006 3:40 pm

Portland Group F90 Compiler of release 5.0, altals 3.6 and lapack 2.0 were used to compile VASP46 on P4 machine with Redhat linux system. I've choosed makefile.linux_pg and have the path of the FC specified on line 59 and the path of altas on line 129 changed to the righ one. It's confused to have met the following error:

rm -f vasp
/usr/pgi/linux86/5.0/bin/pgf90 -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_atlas.o -llapack -lcblas -L/home/nie/VASP/ATLAS/Linux_P4SSE2 -lf77blas -latlas
/usr/bin/ld: cannot find -lcblas
make: *** [vasp] Error 2

help me please
Last edited by nancyllan on Mon Sep 18, 2006 3:40 pm, edited 1 time in total.

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error when compiling vasp46

#2 Post by admin » Tue Sep 19, 2006 9:13 am

the libcblas.a library package cannot be found, please check if you chose the correct path in the line specifying the BLAS package you want to use (BLAS= ) and whether the BLAS had been installed correctly
Last edited by admin on Tue Sep 19, 2006 9:13 am, edited 1 time in total.

nancyllan

error when compiling vasp46

#3 Post by nancyllan » Wed Sep 20, 2006 5:10 am

Thanks a lot. I've solved this problem by deleting the "-llapack" and "-lcblas" which locate at the end of the line 142 which specify the path of lapack.
Last edited by nancyllan on Wed Sep 20, 2006 5:10 am, edited 1 time in total.

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