[gpaw-users] GPAW installation issue

[Michael Walter]

Dear Krishna,

it seems your compiler does not find mpi libraries. Load the module or set
INCLUDEPATH accordingly.

Best regards,
Michael

Am Mo., 8. Juni 2020 um 12:10 Uhr schrieb Krishnakanta Mondal via
gpaw-users <gpaw-users at listserv.fysik.dtu.dk>:

> Dear all,
> I have some issues with installing GPAW (latest version)
> The error message is:
>
> [kmondal0 at r033c01s04 gpaw]$ python setup.py install --prefix=$PWD/install
> Reading configuration from siteconfig.py
> running install
> running build
> running build_py
> running build_ext
> building '_gpaw' extension
> icc -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall
> -Wstrict-prototypes -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_C
> BLACS=1 -DGPAW_NO_UNDERSCORE_CSCALAPACK=1
> -DGPAW_GITHASH=3b0afef7805b8f6540dea15dad6c0142f1213afd
> -DGPAW_NO_UNDERSCORE_CBLACS=1 -DGPAW_NO_UNDE
> RSCORE_CSCALAPACK=1 -DGPAW_ASYNC=1 -DGPAW_MPI2=1 -DPARALLEL=1
> -DGPAW_WITH_SL=1 -UNDEBUG
> -I/galileo/home/userexternal/kmondal0/source/libxc/ins
> tall/include
> -I/cineca/prod/opt/compilers/python/3.6.4/none/include/python3.6m
> -I/cineca/prod/opt/libraries/numpy/1.15.2/python--3.6.4/lib/pyt
> hon3.6/site-packages/numpy-1.15.2-py3.6-linux-x86_64.egg/numpy/core/include
> -c c/_gpaw.c -o build/temp.linux-x86_64-3.6/c/_gpaw.o -Wall -Wno-u
> nknown-pragmas -std=c99
> icc: command line warning #10006: ignoring unknown option
> '-Wno-unused-result'
> c/_gpaw.c(10): catastrophic error: cannot open source file "mpi.h"
>   #include <mpi.h>
>                   ^
>
> compilation aborted for c/_gpaw.c (code 4)
> error: command 'icc' failed with exit status 4
>
> It will be highly appreciated if someone can help me to solve this.
>
> Regards,
> Krishnakanta
>
> --
> Dr. Krishnakanta Mondal
> DST-INSPIRE Faculty (Asst. Prof.)
> Department of Physical Sciences,
> Central University of Punjab
> Bathinda, Punjab-151001
> Phone: +91 9424540649
> email: krishnakanta1987 at gmail.com <krishnakanta at iiserpune.ac.in>
> Google Scholar ID:
> http://scholar.google.co.in/citations?hl=en&user=iptbu_0AAAAJ
> _______________________________________________
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-- 
------------------------------------------
PD Dr Michael Walter
Addresses:
- Fraunhofer IWM, Wöhlerstrasse 11, D-79108 Freiburg i. Br., Germany
  Tel.: +49 761 5142 296
- FIT Freiburg Centre for Interactive Materials and Bioinspired
Technologies, Georges-Köhler-Allee 105, 79110 Freiburg, Germany
  Tel: +49 761 203 95072
email: Michael.Walter at fmf.uni-freiburg.de
www: http://www.functional-nanosystems.uni-freiburg.de/People/PDWalter/group
publications: http://scholar.google.com/citations?user=vlmryKEAAAAJ&hl=en
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