Nwchem 6.5 and build nwchem script.

Clicked A Few Times	12:51:57 AM PDT - Fri, Sep 12th 2014 Dear all, after reading the compilation instructions it's not clear to me if I could use the build_nwchem script at contrib/distro-tools. I have tried on a Linux machine and I got some errors. Before chasing them I wanted to be sure I am not doing I am not supposed to do. Thanks a lot.

Clicked A Few Times	2:31:54 AM PDT - Fri, Sep 12th 2014 I have the same problem (possibly) on Ubuntu 14.04, trying to run build_nwchem gives me errors: figure out Network, MPI, and LinAlg libraries ./contrib/distro-tools/build_nwchem: line 288: -show: command not found ./contrib/distro-tools/build_nwchem: line 294: -showme: command not found ./contrib/distro-tools/build_nwchem: line 301: -link-info: command not found ERROR: cannot get compile info from ./contrib/distro-tools/build_nwchem: line 329: -show: command not found ./contrib/distro-tools/build_nwchem: line 335: -showme: command not found ./contrib/distro-tools/build_nwchem: line 342: -link-info: command not found ERROR: cannot get link info from ./contrib/distro-tools/build_nwchem: line 370: -show: command not found ./contrib/distro-tools/build_nwchem: line 376: -showme: command not found ./contrib/distro-tools/build_nwchem: line 383: -link-info: command not found ERROR: cannot get library info from ./contrib/distro-tools/build_nwchem: line 407: -show: command not found ./contrib/distro-tools/build_nwchem: line 413: -showme: command not found ./contrib/distro-tools/build_nwchem: line 420: -compile-info: command not found ERROR: cannot get compile info from ./contrib/distro-tools/build_nwchem: line 464: -show: command not found ./contrib/distro-tools/build_nwchem: line 470: -showme: command not found ./contrib/distro-tools/build_nwchem: line 477: -compile-info: command not found ERROR: cannot get compile info from ./contrib/distro-tools/build_nwchem: line 526: -show: command not found ./contrib/distro-tools/build_nwchem: line 529: -show: command not found ./contrib/distro-tools/build_nwchem: line 536: -showme: command not found ./contrib/distro-tools/build_nwchem: line 543: -compile-info: command not found ERROR: cannot get compile info from ./contrib/distro-tools/build_nwchem: line 1576: mpicc: command not found ./contrib/distro-tools/build_nwchem: line 1000: -q64: command not found ./contrib/distro-tools/build_nwchem: line 1000: -o: command not found ERROR: could not establish the pointer size ERROR: could not establish pointer size needed to set NWCHEM_TARGET: aborting...

Clicked A Few Times	7:24:08 AM PDT - Mon, Sep 22nd 2014 I figured out what was missing. After installing the libopenmpi-dev and g++ packages I got a working executable.

Forum >> NWChem's corner >> Compiling NWChem