NWCHem master compilation error

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Miro

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Sep 10, 2021, 4:16:12 PM9/10/21
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Hello,

last year I was able compile nwchem master, but this time I got strange error, files are in https://drive.google.com/drive/folders/174zobGYP3uhkPKYtpsoVwKpEdV5-1MYQ?usp=sharing

I notice first error "make[2]: [../../config/makelib.h:299: clean] Error 1 (ignored)".
later errors are "nwpwxc_vdw3a.F(195): error #5102: Cannot open include file 'param'" etc.

Any help is appreciated.

Miro


Edoardo Aprà

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Sep 10, 2021, 4:17:56 PM9/10/21
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We don't have the resources to support a thirteen year old compiler. Freely available recent versions of the same compiler are now available.

Edoardo Aprà

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Sep 10, 2021, 4:22:17 PM9/10/21
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Could you send the output of the following commands

cd $NWCHEM_TOP/src/nwpw/nwpwlib/nwpwxc
rm nwpwxc_vdw3a.F
make nwpwxc_vdw3a.F

Miro

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Sep 11, 2021, 11:27:38 AM9/11/21
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Hi,

as I see,  I am missing "patch" command, going to write to admin...


mil...@login.grid.umb.sk:~/Work/qch/software/nwchem_suite/nwchem_master/src/nwpw/nwpwlib/nwpwxc/.make nwpwxc_vdw3a.F
./build_dftd3a.sh
using existing dftd3.tgz
./build_dftd3a.sh: line 36: patch: command not found
make: *** [GNUmakefile:36: nwpwxc_vdw3a.F] Error 127
mil...@login.grid.umb.sk:~/Work/qch/software/nwchem_suite/nwchem_master/src/nwpw/nwpwlib/nwpwxc/.

Edoardo Aprà

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Sep 11, 2021, 11:30:11 AM9/11/21
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If you update your master tree with a git pull, I pushed a commit that could fix the lack of patch
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