[gpaw-users] GPAW installation issue

Krishnakanta Mondal krishnakanta1987 at gmail.com
Mon Jun 8 12:06:12 CEST 2020


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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