Having problems with compiling NWCHEM6.5 on Mac OS X Yosemite 10.10.3

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Just Got Here Threads 1 Posts 4	8:46:49 AM PDT - Wed, Jun 10th 2015 I followed the new instructions, but still cannot finish NWCHEM6.5 compilation on MAC OS X Yosemite 10.10.3. The error messages are: Pings-MacBook-Pro:~ PG$ sudo port select mpi mpi-mp-fortran Selecting 'mpi-mp-fortran' for 'mpi' failed: The specified version 'mpi-mp-fortran' is not valid. Pings-MacBook-Pro:~ PG$ sudo port select mpi mpich-mp-fortran Selecting 'mpich-mp-fortran' for 'mpi' succeeded. 'mpich-mp-fortran' is now active. Pings-MacBook-Pro:~ PG$ export NWCHEM_TOP=/Users/PG/Documents/App/Nwchem/ Pings-MacBook-Pro:~ PG$ export NWCHEM_TARGET="MACX64" Pings-MacBook-Pro:~ PG$ export NWCHEM_MODULES="qm" Pings-MacBook-Pro:~ PG$ export USE_MPI="y" Pings-MacBook-Pro:~ PG$ export USE_MPIF="y" Pings-MacBook-Pro:~ PG$ export USE_MPIF4="y" Pings-MacBook-Pro:~ PG$ export CFLAGS_FORGA="-DMPICH_NO_ATTR_TYPE_TAGS" Pings-MacBook-Pro:~ PG$ export LIBMPI=" -lmpifort -lmpi -lpmpi -lpthread" Pings-MacBook-Pro:~ PG$ export BLASOPT=" " Pings-MacBook-Pro:~ PG$ cd /Users/PG/Documents/App/Nwchem/src Pings-MacBook-Pro:src PG$ make nwchem_config GNUmakefile:6: config/makefile.h: No such file or directory make: *** No rule to make target `config/makefile.h'. Stop. Pings-MacBook-Pro:src PG$ Can anybody help with this? Thanks:-)

Pguo1 Member Profile Send PM
Just Got Here Threads 1 Posts 4	10:05:34 AM PDT - Sun, Jun 14th 2015 Still have problems I kept working on installing NWCHEM6.5 on my computer, and I made a little progress. But still cannot get it work. Here is the terminal information: Pings-MacBook-Pro:src PG$ sudo make You must define NWCHEM_TOP in your environment to be the path of the top level nwchem directory ... something like setenv NWCHEM_TOP /msrc/home/elvis/nwchem config/makefile.h:33: *** . Stop. Pings-MacBook-Pro:src PG$ printenv TERM_PROGRAM=Apple_Terminal SHELL=/bin/bash TERM=xterm-256color TMPDIR=/var/folders/tp/sym1x9jn4ggd27rxgyw61jvm0000gn/T/ Apple_PubSub_Socket_Render=/private/tmp/com.apple.launchd.K0JdtxeSIK/Render TERM_PROGRAM_VERSION=343.7 LIBMPI= -lmpifort -lmpi -lpmpi -lpthread OLDPWD=/Users/PG/nwchem TERM_SESSION_ID=893C9E69-12A2-4A82-907F-53BB22CB72A5 USE_MPIF=y USER=PG NWCHEM_TOP=/Users/PG/nwchem/ SSH_AUTH_SOCK=/private/tmp/com.apple.launchd.mOnM46jLmn/Listeners __CF_USER_TEXT_ENCODING=0x1F5:0x0:0x0 USE_MPI=y CFLAGS_FORGA=-DMPICH_NO_ATTR_TYPE_TAGS PATH=/usr/local/bin:/usr/bin:/bin:/usr/sbin:/sbin:/Users/PG/Downloads/usr2/local/bin:/Users/PG/Downloads/usr2/local/lib NWCHEM_MODULES=qm PWD=/Users/PG/nwchem/src LANG=en_US.UTF-8 XPC_FLAGS=0x0 XPC_SERVICE_NAME=0 SHLVL=1 HOME=/Users/PG LOGNAME=PG BLASOPT= USE_MPIF4=y NWCHEM_TARGET=MACX64 _=/usr/bin/printenv Pings-MacBook-Pro:src PG$

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Just Got Here Threads 1 Posts 4	10:05:51 AM PDT - Sun, Jun 14th 2015 Still have problems I kept working on installing NWCHEM6.5 on my computer, and I made a little progress. But still cannot get it work. Here is the terminal information: Pings-MacBook-Pro:src PG$ sudo make You must define NWCHEM_TOP in your environment to be the path of the top level nwchem directory ... something like setenv NWCHEM_TOP /msrc/home/elvis/nwchem config/makefile.h:33: *** . Stop. Pings-MacBook-Pro:src PG$ printenv TERM_PROGRAM=Apple_Terminal SHELL=/bin/bash TERM=xterm-256color TMPDIR=/var/folders/tp/sym1x9jn4ggd27rxgyw61jvm0000gn/T/ Apple_PubSub_Socket_Render=/private/tmp/com.apple.launchd.K0JdtxeSIK/Render TERM_PROGRAM_VERSION=343.7 LIBMPI= -lmpifort -lmpi -lpmpi -lpthread OLDPWD=/Users/PG/nwchem TERM_SESSION_ID=893C9E69-12A2-4A82-907F-53BB22CB72A5 USE_MPIF=y USER=PG NWCHEM_TOP=/Users/PG/nwchem/ SSH_AUTH_SOCK=/private/tmp/com.apple.launchd.mOnM46jLmn/Listeners __CF_USER_TEXT_ENCODING=0x1F5:0x0:0x0 USE_MPI=y CFLAGS_FORGA=-DMPICH_NO_ATTR_TYPE_TAGS PATH=/usr/local/bin:/usr/bin:/bin:/usr/sbin:/sbin:/Users/PG/Downloads/usr2/local/bin:/Users/PG/Downloads/usr2/local/lib NWCHEM_MODULES=qm PWD=/Users/PG/nwchem/src LANG=en_US.UTF-8 XPC_FLAGS=0x0 XPC_SERVICE_NAME=0 SHLVL=1 HOME=/Users/PG LOGNAME=PG BLASOPT= USE_MPIF4=y NWCHEM_TARGET=MACX64 _=/usr/bin/printenv Pings-MacBook-Pro:src PG$

Pguo1 Member Profile Send PM
Just Got Here Threads 1 Posts 4	10:05:53 AM PDT - Sun, Jun 14th 2015 Still have problems I kept working on installing NWCHEM6.5 on my computer, and I made a little progress. But still cannot get it work. Here is the terminal information: Pings-MacBook-Pro:src PG$ sudo make You must define NWCHEM_TOP in your environment to be the path of the top level nwchem directory ... something like setenv NWCHEM_TOP /msrc/home/elvis/nwchem config/makefile.h:33: *** . Stop. Pings-MacBook-Pro:src PG$ printenv TERM_PROGRAM=Apple_Terminal SHELL=/bin/bash TERM=xterm-256color TMPDIR=/var/folders/tp/sym1x9jn4ggd27rxgyw61jvm0000gn/T/ Apple_PubSub_Socket_Render=/private/tmp/com.apple.launchd.K0JdtxeSIK/Render TERM_PROGRAM_VERSION=343.7 LIBMPI= -lmpifort -lmpi -lpmpi -lpthread OLDPWD=/Users/PG/nwchem TERM_SESSION_ID=893C9E69-12A2-4A82-907F-53BB22CB72A5 USE_MPIF=y USER=PG NWCHEM_TOP=/Users/PG/nwchem/ SSH_AUTH_SOCK=/private/tmp/com.apple.launchd.mOnM46jLmn/Listeners __CF_USER_TEXT_ENCODING=0x1F5:0x0:0x0 USE_MPI=y CFLAGS_FORGA=-DMPICH_NO_ATTR_TYPE_TAGS PATH=/usr/local/bin:/usr/bin:/bin:/usr/sbin:/sbin:/Users/PG/Downloads/usr2/local/bin:/Users/PG/Downloads/usr2/local/lib NWCHEM_MODULES=qm PWD=/Users/PG/nwchem/src LANG=en_US.UTF-8 XPC_FLAGS=0x0 XPC_SERVICE_NAME=0 SHLVL=1 HOME=/Users/PG LOGNAME=PG BLASOPT= USE_MPIF4=y NWCHEM_TARGET=MACX64 _=/usr/bin/printenv Pings-MacBook-Pro:src PG$

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