problem in parallel compilation

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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arijit
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problem in parallel compilation

#1 Post by arijit » Wed Jan 24, 2007 8:42 am

While I never face a problem in compiling VASP in serial machines, I face sometimes difficulties in parallel compilations. Recently, I came across the following errors:
............
/opt/mpich2-intel/bin/mpif90 -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 dynmat.o neb.o dimer.o lanczos.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_double.o -L/opt/intel/mkl_serial_8.1/lib/em64t -lmkl_em64t -lpthread
/opt/mpich2-intel/lib/libmpich.a(ch3u_getinterfaces.o): In function `MPIDU_CH3U_GetSockInterfaceAddr':
ch3u_getinterfaces.c:(.text+0x51): warning: Using 'gethostbyname' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking
main.o: In function `MAIN__':
main.f90:(.text+0x15710): undefined reference to `mapset_'
main.f90:(.text+0x15770): undefined reference to `mapset_'
main.f90:(.text+0x1577f): undefined reference to `mapset_'
main.f90:(.text+0x157df): undefined reference to `mapset_'
make: *** [vasp] Error 1
------------------
Can anyone please help me out in resolving it?
Regards,
Sen
Last edited by arijit on Wed Jan 24, 2007 8:42 am, edited 1 time in total.

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problem in parallel compilation

#2 Post by admin » Wed Jan 24, 2007 1:00 pm

probably you forgot to include the parallel version of the fft3d:
please un-comment the respective libraries in the MPI-part of the makefile:
either
FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
or
FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
Last edited by admin on Wed Jan 24, 2007 1:00 pm, edited 1 time in total.

arijit
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problem in parallel compilation

#3 Post by arijit » Thu Jan 25, 2007 3:45 am

Thank you so much for the help. I finally succeeded in compiling the VASP in the parallel machine equipped with the executable vasp. However, the following warning came at the end:
'''''''''''''''''''''''''''''''
/opt/mpich2-intel/lib/libmpich.a(ch3u_getinterfaces.o): In function `MPIDU_CH3U_GetSockInterfaceAddr':
ch3u_getinterfaces.c:(.text+0x51): warning: Using 'gethostbyname' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking.
''''''''''''''''''''''''''''''''''
Does it have any impact on running parallel vasp jobs ?
Thank you once again.
Sen
Last edited by arijit on Thu Jan 25, 2007 3:45 am, edited 1 time in total.

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problem in parallel compilation

#4 Post by admin » Mon Jan 29, 2007 2:07 pm

please make sure that these libraries are accessible at runtime
Last edited by admin on Mon Jan 29, 2007 2:07 pm, edited 1 time in total.

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