Test-suite
Installation
The test suite is available via svn
%svn co svn+ssh://username@qeforge.qe-forge.org/svnroot/yambo-tests/test-suite ./test-suite
Remember to change username with your username.
After the cehckout the first thing to do is the configure
%cd test-suite %./configure --with-yambo=/home/marini/Yambo/yambo/master/
If the configuration works you should see the following messages:
%./configure --with-yambo=/home/marini/Yambo/yambo/master/ %checking build system type... x86_64-unknown-linux-gnu %checking host system type... x86_64-unknown-linux-gnu %checking the anomaly.mlib.ism.cnr.it ROBOT... created %checking for nccopy... no %checking for ncftp... ncftp %checking for ncftpls... ncftpls %checking for ncftpput... ncftpput %checking for awk... awk %checking for txt2html... txt2html %checking the Yambo source... /home/marini/Yambo/yambo/master/ %configure: creating ./config.status %config.status: creating config/MODULES.pl %config.status: creating config/TOOLS.pl
Databases download
Now it is time to download all databases. This can be easily done using the -b option
%./driver.pl -d all
Quick Testing
%./driver.pl -autotest
If everything works you should see as log the following message
%================================================================================== %= Starting Yambo test-suite %================================================================================== % - Check requirements : ...ncftp...ncftpls...ncftpput...txt2html % - Test selection : from input % ncdump : /opt/gcc4/netcdf-4.0.1/bin/ncdump % - Executable checks : (yambo OK ) (ypp FAIL )(a2y FAIL )(p2y FAIL ) % Running tests : hBN/GW-OPTICS 01_init 02_HF % Projects : nopj % Verbosity : low % Precision : 0.01 % Hostname : anomaly.mlib.ism.cnr.it % revision : 14505 % build : MPI+SLK % bin dir : bin % shortname : % source : master_-precompiled % Parallel Loop : SERIAL %=--------------------------------------------------------------------------------= % > [1 /1 ] hBN/GW-OPTICS[serial] 5 passes %=--------------------------------------------------------------------------------=
The 5 passes are important as they represent the number of passed tests.
Available tests
The list of tests can be done using the -l option:
%./driver.pl -l
Note that you can add a TEST to -l to list the specific inputs of that test. For example
%>./driver.pl -l GaAs001-c4x4/YAMBO % %Available input files for GaAs001-c4x4/YAMBO are: 01_init 02_RAS_full 03_RAS_full 04_RAS_front 05_RAS_dimer
Reports & Logs
The autotest and any other run of the test-suite produces three files. Each file is labelled with the date of the run.
In order to see the meaning and the in formations written in the files let's do a quick run of a Dummy test created in order to reproduce some of the possible error conditions.
Let's first clean the suite
%./driver.pl -c
and use the -force to run also tests tagged as BROKEN (like the Dummy one). First thing to do is to download the Dummy database adding the -force option.
%./driver.pl -d Dummy -force
Then we can run the Dummy test using
%./driver.pl -tests Dummy -force
The result will now be
%=--------------------------------------------------------------------------------= % > [1 /1 ] Dummy[serial] 11 passes 5 fails %=--------------------------------------------------------------------------------=
The 5 fails cover most of the potential errors detected by the test-suite. Details can be now found in the report/log files
REPORT file
This file contains very condensed information about the run. There is the duration time plus some detail of the reasons behind the 5 fails.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% Yambo test suite global REPORT %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %================================================================================== %Running tests :Dummy %Projects :nopj %Date - Time :Fri-19-May - 11-46 %Build :master - MPI+SLK - rev.14505 %Parallel Conf :[serial] - none %=--------------------------------------------------------------------------------= %FAIL: 5 & NO RUN: 0 & SKIPS: 0 % WHITELIST: 1 % OKs: 10 %FAIL details: 1 wrong output % 1 no reference % 1 no output % 2 no DB %=--------------------------------------------------------------------------------= %% Section Duration : 0:0:3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% TOTAL Duration : 0:0:3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
In the dummy case indeed the suite should detect:
- 1 wrong output
- 1 output missing the REFERENCE
- 1 missing output (not generated by the run)
- 2 missing databases.
More details can be found in the LOG and and in the ERROR.
[[The REPORT file is the one used to send final logs to the mailing list. ]]
ERROR file
This is a useful file with detailed information about the errors only.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% Yambo test suite ERRORs log %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %================================================================================== %Running tests :Dummy %Projects :nopj %Date - Time :Fri-19-May - 11-46 %Build :master - MPI+SLK - rev.14505 %Parallel Conf :[serial] - none %=--------------------------------------------------------------------------------= %Dummy/02_hf-serial-master/o-02_hf.hf : VALUE(# 17)@COL# 6 is -5.4691 [REF] vs -4.4691 [OUT] corresponding to 6.1013 [% RELATIVE TO MAX] %Dummy/02_hf-serial-master : NO REFERENCE/o-02_hf.ndb.em1s_fragment_1 in OUTPUT %Dummy/04_em1s-serial-master : NO o-04_em1s.ndb.em1s_fragment_1 in REFERENCE %% Section Duration : 0:0:3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% TOTAL Duration : 0:0:3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Running
Before entering in the details of the different running methods let's first describe the Parallel Options
Parallel Options
% (parallel options) % -np <N> Fixed number of CPU used % -np_min <N> Minimum number of CPU used % -np_max <N> Maximum number of CPU used % -nt <T> # of OMP threads % -nl <L> # of CPU used for linear algebra % -def_par Use the default parallelization scheme % -rand_par Use randomly generated parallel structures
Examples:
%./driver.pl -tests Dummy -force -np 2
produces all possible combinations of 2 cpu's for the Dummy tests. Each run is labelled in such a way to be unique. The Dummy folder will look like
%%l tests/Dummy/ %01_init-Nmpi2-1-master/ 02_hf-Nmpi2-3-master/ 03_optics-Nmpi2-3-master/ 04_em1s-Nmpi2-3-master/ INPUTS/ yambo.in %02_hf 03_optics 04_em1s 04_em1s-Nmpi2-4-master/ LOG/ %02_hf-Nmpi2-1-master/ 03_optics-Nmpi2-1-master/ 04_em1s-Nmpi2-1-master/ BROKEN REFERENCE/ %02_hf-Nmpi2-2-master/ 03_optics-Nmpi2-2-master/ 04_em1s-Nmpi2-2-master/ Dummy.tar.gz SAVE/
Note that each run is labelled by the number of MPI cpus (Nmpi2) and by the increasing counter of potential combinations of the two cpu's (-1-master,-2-master,...).
Other potential combinations are
- MPI, default parallelization (no cycle)
%./driver.pl -tests Dummy -force -np 2 -def_par
- MPI, random parallelization (no cycle, good for testing)
%./driver.pl -tests Dummy -force -np 2 -rand_par
- MPI, using 2 and 4 cpu's, no cycle on combinations, using random parallelization
%./driver.pl -tests Dummy -force -np_min 2 -np_max 4 -rand_par
- OpenMP (if compiled with OpenMP)
%./driver.pl -tests Dummy -force -nt 2
- MPI+SLK
%./driver.pl -tests Dummy -force -np 4 -nl 4 -def_par
Tests selection
The test-suite can be run in two different ways
- Using a theme
- Passing individual sets of tests
- Using flows
Theme
Individual Tests
Flows
Crontab
The test-suite can be run using the crontab daemon.
------- 35 23 * * * ~/bin/scripts/yambo_validation.tcsh >> /home/marini/Yambo/sources/svn/yambo-tests/test-suite 2>&1
with yambo_validation.tcsh a simple script:
#!/usr/bin/tcsh cd /home/marini/Yambo/sources/svn/yambo-tests/test-suite ./driver.pl -flow validate -report
Adding New Tests
TODO
Advanced Use
General RUN descriptor & Automatic flows of calculations
{
ACTIVE => "yes", # can be yes or no
MPI_CPU => "NP",
SLK_CPU => "NM",
PAR_MODE => "TEXT", # (TEXT can be default, random, loop)
THREADS => "NT",
BRANCH => "/home/marini/Yambo/sources/git/yambo/branches/SLK", # (SAVED)
THEME => "G_parallelization", # (SAVED)
CONFIG => "gfortran_slk.sh", # (SAVED)
TESTS => "hBN/GW-OPTICS", # (SAVED)
KEYS => "nopj elph hard bse rpa", # (SAVED)
}