compiling 6.1.1

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Hi,

I was compiling NWChem 6.1.1 and got the following error message:

Making libraries in basis
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: *** No rule to make target `/home/zhang/Software/nwchem-6.1.1-src-crown_Jul10/src/include/stdio.fh', needed by `/home/zhang/Software/nwchem-6.1.1-src-crown_Jul10/lib/LINUX64/libnwcutil.a(basis.o)'. Stop.
make: *** [libraries] Error 1

I had used the same installation script to compile NWChem 6.1, and it worked fine. Could anyone tell me why
stdio.fh could not be generated in /home/zhang/Software/nwchem-6.1.1-src-crown_Jul10/src/include/stdio.fh? Thanks.

The installation script is:

  1. !/bin/csh

set echo


setenv NWCHEM_TOP /home/zhang/Software/nwchem-6.1.1-src-crown_Jul10
setenv NWCHEM_TARGET LINUX64

setenv LARGE_FILES TRUE
setenv LIB_DEFINES -DDFLT_TOT_MEM=134217728
setenv USE_NOFSCHECK TRUE
setenv TCGRSH /usr/bin/ssh
setenv FC gfortran
setenv CC gcc

setenv USE_MPI y
setenv USE_MPIF y
setenv USE_MPIF4 y
setenv LIBMPI "-pthread -m64 -lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
setenv MPI_LIB /usr/lib64/openmpi/lib
setenv MPI_INCLUDE /usr/include/openmpi-x86_64

setenv PYTHONHOME /opt
setenv PYTHONVERSION 2.7
setenv NWCHEM_MODULES "all python"


echo "build time, here we go."
printenv

cd $NWCHEM_TOP/src
make realclean;
make >& make.log

P.S. My linux system is CentOS release 6.2
Edited On 11:36:31 AM PDT - Wed, Jul 11th 2012 by Zhdsheng

  • Huub Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi,
This problem is most likely caused by an include_stamp file not having been removed at the realclean stage. Please run

   find . -name include_stamp -exec rm {} \; -print

in your NWCHEM_TOP directory and then try to run your script again.

Best wishes,

   Huub

Just Got Here
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nwchem 6.1.1 binaries
Does anyone have nwchem 6.1.1 binaries for Linux Ubuntu? I always fail in compiling peigs. Thx.

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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QUick and dirty solution: cp src/utils/stdio.fh src/include/. and do your regular make.

Bert

Quote:Zhdsheng Jul 11th 6:35 pm
Hi,

I was compiling NWChem 6.1.1 and got the following error message:

Making libraries in basis
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: *** No rule to make target `/home/zhang/Software/nwchem-6.1.1-src-crown_Jul10/src/include/stdio.fh', needed by `/home/zhang/Software/nwchem-6.1.1-src-crown_Jul10/lib/LINUX64/libnwcutil.a(basis.o)'. Stop.
make: *** [libraries] Error 1

I had used the same installation script to compile NWChem 6.1, and it worked fine. Could anyone tell me why
stdio.fh could not be generated in /home/zhang/Software/nwchem-6.1.1-src-crown_Jul10/src/include/stdio.fh? Thanks.

The installation script is:

  1. !/bin/csh

set echo


setenv NWCHEM_TOP /home/zhang/Software/nwchem-6.1.1-src-crown_Jul10
setenv NWCHEM_TARGET LINUX64

setenv LARGE_FILES TRUE
setenv LIB_DEFINES -DDFLT_TOT_MEM=134217728
setenv USE_NOFSCHECK TRUE
setenv TCGRSH /usr/bin/ssh
setenv FC gfortran
setenv CC gcc

setenv USE_MPI y
setenv USE_MPIF y
setenv USE_MPIF4 y
setenv LIBMPI "-pthread -m64 -lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
setenv MPI_LIB /usr/lib64/openmpi/lib
setenv MPI_INCLUDE /usr/include/openmpi-x86_64

setenv PYTHONHOME /opt
setenv PYTHONVERSION 2.7
setenv NWCHEM_MODULES "all python"


echo "build time, here we go."
printenv

cd $NWCHEM_TOP/src
make realclean;
make >& make.log

P.S. My linux system is CentOS release 6.2

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EDIT: Nevermind. Had the same issue with a few other .fh files, but the same fix worked for each of them. I can't find a way to delete this post, so this is just a placeholder.
Edited On 9:32:12 AM PST - Tue, Nov 20th 2012 by WillEverett


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