| 9:06:21 AM PDT - Mon, Sep 10th 2012 |
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Trying to build NWChem-src-2012-Jul-25 on an AMD64 Linux machine running
Ubuntu 12.04. Using these envars, running as root: NWCHEM_TARGET=LINUX64,
NWCHEM_MODULES=all, and the make command `make FC=gfortran > & make.log`.
The prior 'config' seemed to work without errors.
The tail of the make.log file is copied below. Just what execvp is doing, and why there should be a "permission denied" error (I'm building as root) is unclear to me. In anycase, executable 'depend.x' is built, but not 'nwchem' or 'parallel'.
A related issue is as follows: the binary build of ecce-v6.1 in fact contains the "3rd_party" nwchem app -- which runs fine on this computer. But with one problem: that build doesn't contain the 'parallel' executable file which allows me to exploit tcgmsg to use all four processors. Curiously, the 'parallel' file, which I built on this computer from source for nwchem_v6.0, appears to do the job when I use it to invoke the nwchem binary distributed with ecce-v6.1. Are there any reasons why this hybrid work-around might have pitfalls which I haven't discovered yet?
- tail of make.log**lines 3509 to 3531**********************
ar: creating /usr/local/lib/NWChem/nwchem-6.1/lib/LINUX_64/libpeigs.a
make[3]: Leaving directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/src/c'
(cd ./src/f77; make)
make[3]: Entering directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/src/f77'
make[3]: Nothing to be done for `all'.
make[3]: Leaving directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/src/f77'
(cd ./comm; make)
make[3]: Entering directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/comm'
make[3]: Nothing to be done for `all'.
make[3]: Leaving directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/comm'
(cd ./ctof; make)
make[3]: Entering directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/ctof'
make[3]: Nothing to be done for `all'.
make[3]: Leaving directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs/ctof'
rm -f libpeigs.a
ar r /usr/local/lib/NWChem/nwchem-6.1/lib/LINUX_64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o
/usr/local/lib/NWChem/nwchem-6.1/lib/LINUX_64/libpeigs.a
make[2]: execvp: /usr/local/lib/NWChem/nwchem-6.1/lib/LINUX_64/libpeigs.a: Permission denied
make[2]: *** [lib] Error 127
make[2]: Leaving directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs'
make[1]: *** [peigs_stamp] Error 1
make[1]: Leaving directory `/usr/local/lib/NWChem/nwchem-6.1/src/peigs'
make: *** [libraries] Error 1
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