error compiling vasp.5.4.4

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liney
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error compiling vasp.5.4.4

#1 Post by liney » Tue May 09, 2017 7:42 pm

I'm compiling vasp.5.4.4 using mpif90 and I'm using the standard makefile.include.linux_intel file and have only made minor changes replacing the mpiifort compiler (see below) but I get the following error.


#FC = mpiifort
#FCL = mpiifort -mkl=sequential -lstdc++

FC = mpif90
FCL = mpif90 -mkl=sequential -lstdc++


mkdir build/std ; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
mkdir: cannot create directory buildstd:Fimake[1]:Entergdirecry/nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std'
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory /nfsstakfact̲ya/arna.lvasp.5.4.4buildstdlibmakelibdmy.amake[3]:Entergdirecry/nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std/lib'
make[3]: libdmy.aisupdate.make[3]:Leavgdirecry/nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std/lib'
make[2]: Leaving directory /nfsstakfact̲ya/arna.lvasp.5.4.4buildstdlibrsync-ru....srcparser.cpmakefi.cludeparsermake-Cparser-j1make[2]:Entergdirecry/nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std/parser'
make libparser.a
make[3]: Entering directory /nfsstakfact̲ya/arna.lvasp.5.4.4buildstdparsermake[3]:libparser.a' is up to date.
make[3]: Leaving directory /nfsstakfact̲ya/arna.lvasp.5.4.4buildstdparsermake[2]:Leavgdirecry/nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std/parser'
rsync -u ../../src/*.F ../../src/*.inc .
rm -f vasp ; make vasp ; cp vasp ../../bin/vasp_std
make[2]: Entering directory /nfsstakfact̲ya/arna.lvasp.5.4.4buildstdmπf90-mkl=sequential-lstdc++-ovaspc2ferface.obase.oprofilg.oopenmp.omπ.omπshmem.osmartallocate.oxml.oconstant.ojacobi.omamπ.oscala.oasa.olaice.oposcar.oi.omgrid.oxclib.ovdwnl.oxclib.oradial.opseudogridq.oebs.omkps.owave.owavemπ.owavehigh.obext.osπnsym.osymlib.osymmetry.olalib.orandom.ononl.ononlr.ononlhigh.odf.ochoski2.omix.ohamil.oxc.oxcsπn.opotex1.opotex2.oconstrmag.oclshifm_ibcast_z_from_':
mpi.f90:(.text+0x2e1a): undefined reference to mpi_ibcast_' mpi.o: In function m_ibcast_d_from_':
mpi.f90:(.text+0x2efa): undefined reference to mpi_ibcast_' mpi.o: In function m_ireduce_z_to_':
mpi.f90:(.text+0x769c): undefined reference to mpi_ireduce_' mpi.o: In function m_ireduce_d_to_':
mpi.f90:(.text+0x779c): undefined reference to mpi_ireduce_' make[2]: *** [vasp] Error 1 make[2]: Leaving directory /nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std'
cp: cannot stat vasp': No such file or directory make[1]: *** [all] Error 1 make[1]: Leaving directory /nfs/stak/faculty/a/arnadotl/vasp.5.4.4/build/std'
make: *** [std] Error 2

mwistey
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Re: error compiling vasp.5.4.4

#2 Post by mwistey » Tue Aug 22, 2017 5:36 am

For what it's worth, I got the same missing functions (undefined reference) errors using the Intel 2013/2014 compiler, but not the 2016 version. As far as I can tell, impi/4.1.3.048 does not include MPI_ibcast or several other MPI 3 commands.

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