The ABINIT Users Mailing List ( CLOSED )

[Alain Jacques <ajs.jacques@gmail.com>]

Aaron wrote:

4101f9fe0902110917q385e7190qad8291473dfddd47@mail.gmail.com" type="cite">I added iccvars.sh in my .bashrc file and configure with 

./configure FC="/home/opt/intel/impi/3.1/bin64/mpiifort" CC="/home/opt/intel/impi/3.1/bin64/mpiicc" --enable-mpi=yes --disable-wannier90

This time compilation completed successfully, except that I cannot use wannier90 feature. For if --disable-wannier90 not used, errors came out as following:

Glad it worked. I suggest to check netcdf by doing a "cd  plugins/netcdf/netcdf-3.6.3" then a "make check". Look for successful fortran tests report at the end
 

4101f9fe0902110917q385e7190qad8291473dfddd47@mail.gmail.com" type="cite">

Making all in wannier90

make[3]: Entering directory `/home/mfeng/abinit/abinit-5.6.4/plugins/wannier90'

make -f ../../plugins/wannier90/wannier90.mk

make[4]: Entering directory `/home/mfeng/abinit/abinit-5.6.4/plugins/wannier90'

gzip -cd /home/mfeng/.abinit/tarballs/wannier90-1.1.tar.gz | tar xf -

gzip: /home/mfeng/.abinit/tarballs/wannier90-1.1.tar.gz: unexpected end of file

tar: Unexpected EOF in archive

tar: Unexpected EOF in archive

tar: Error is not recoverable: exiting now

make[4]: *** [uncompress-stamp] Error 2

make[4]: Leaving directory `/home/mfeng/abinit/abinit-5.6.4/plugins/wannier90'

make[3]: *** [package-ready] Error 2

make[3]: Leaving directory `/home/mfeng/abinit/abinit-5.6.4/plugins/wannier90'

make[2]: *** [all-recursive] Error 1

make[2]: Leaving directory `/home/mfeng/abinit/abinit-5.6.4/plugins'

make[1]: *** [all-recursive] Error 1

make[1]: Leaving directory `/home/mfeng/abinit/abinit-5.6.4'

make: *** [all] Error 2

Your downloaded wannier90 tarball is broken. Delete it and/or replace it in your /home/.../.abinit/tarballs/ subdir with http://www.abinit.org/plugins/wannier90-1.1.tar.gz. I am afraid you have to recompile abinit to be able to use the lib.

4101f9fe0902110917q385e7190qad8291473dfddd47@mail.gmail.com" type="cite">

Now I have finished the compilation and want to do some tests. But I am confused about how to run tests as description at the end of compilation says:

Keywords to use for test directory (automated sets of tests) :

tests_min      Minimal set of tests (sequential)

tests_min4     Minimal set of tests, 4 threads at once

tests_dev      Minimal set of tests for developers (with a report)

tests_acc      Test accuracy (=tests_min+tutorial/tutorespfn/bigdft/wannier90)

tests_acc4     Test accuracy, running 4 threads at once

tests_bench    Test accuracy+cpu for benchmarks (with a report)

tests_speed    Test cpu for benchmarks (quick, with a report)

tests_abinip   Tests using abinip instead of abinis (fast,v1-v...,tutorial)

                (WARNING : at present, works only on sleepy.pcpm.ucl.ac.be)

The description of more detailed testing possibilities can be obtained from

'make help_dev' or 'make dev'. In particular, note the following actions :

(1) to test abinip on many different specific platforms :

tests_paral

(2) to test only the features as bigdft, gw, paw, or tddft :

tests_bigdft

tests_gw     (all GW tests, except tutorial#gw_1 and gw_9, that are very long)

tests_paw

tests_tddft

I cannot find any executable command or script in /tests directory. Any of above key returns "-bash: tests_speed: command not found

" or similar.

from the build directory - where your config.log resides - do a "cd tests" then "make tests_min"
The parallel tests rely on specific system configuration - probably different from yours. A shortcut is to do a couple of tests by hand as I explained in this forum - a reply to Physics fany on 26/12

4101f9fe0902110917q385e7190qad8291473dfddd47@mail.gmail.com" type="cite">

Thanks a lot to Alain and Yann. It is with your help that I can finish installation.

Alain