Test-suite

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This page show how to use the PERL or Python test-suites

This web-page show how to install and use the test-suite of Lumen.
We present both test-suites the old one in Perl and the new one in Python
Instructions in red are meant only for developers with access to the private lumen-robots repository and credentials for the ftp server

  1. Clone the repository:
    $git clone git@gitlab.com:lumen-code/lumen-tests.git>
    $cd lumen-tests
  2. Only for developers: use global ROBOTS submodule.
    1. Init and update sub-modules in ROBOTS folder:
      $git submodule init
      $git submodule update
    2. Go in ROBOTS folder, checkout the master, and update it:
      $cd ROBOTS
      $git checkout master
      $git pull
    3. Replace "TOSET" with provided credentials in FTP_credentials file, and go back to the main folder:
      $vim FTP_credentials.pl
      $cd ..
  3. Configure with the command:
    $./configure --with-yambo={path to lumen source} --with-machinename $machinename
    For developers: it is advised to choose a machinename
    Notice that the configure requires that YamboPy to be installed on your system
  4. Download tests:
    $./perltest_lumen.pl -d all

PERL test-suite

Basic usage

  1. Run you first test
    $./perltest_lumen.pl -keys nopj -tests CH4 -compdir="{path to lumen compiled code}"
  2. Now re-run the full test-suite in background.
    $nohup ./perltest_lumen.pl -keys all -tests all -compdir="{path to lumen compiled code}" &
  3. Only for developers: to save and upload results to the lumen website add the - report option
    $nohup ./perltest_lumen.pl -keys all -tests all -compdir="{path to lumen compiled code}" -report &
    Note: the -report option combines two different actions, which can be achieved independently:
    1. local storage of the files inside backup_and_www_folder. This can be done using the option -b at runtime.
    2. upload to the php server of the runs stored inside backup_and_www_folder. This can be done also in a second step with the option -php "$branchname $compiler"

Advanced usage

Inside the robots folders there are different files which are connected to your machine and username, under ROBOTS/$machine_name/$user_name/ which where created with you did the ./configure step

Running a specific branch

Inside 

$vim ROBOTS/$machine_name/$user_name/BRANCHES

you will find the line created by the configure 

{path to lumen source} any

You can replace it with multiple lines, such as 

{path1} master
{path2} develop

After doing this, each time you run the test-suite you will have to add the option -branch $branch_name. For example 

$nohup ./perltest_lumen.pl -keys all -tests all -compdir="{path to lumen compiled code}" -branch master &

Running a flow with automatic compilation

Inside ROBOTS/$machine_name/$user_name/FLOWS you will find files with the possible flows to be used. Here an example 

$vim ROBOTS/$machine_name/$user_name/FLOWS/gfortran15.2_openmpi5.0_SP_p4.pl

contains 

#!/usr/bin/perl
#
#General RUN descriptor & Automatic flows of calculations
#--------------------------------------------------------
#{
# BRANCH      => "PATH", #Full path to the yambo source to test (SAVED)
# CONFIG      => "gfortran_slk.sh", # (SAVED)
# ACTIVE      => "yes", # can be yes or no
# MPI_CPU     => "NP",
# SLK_CPU     => "NM",
# THREADS     => "NT",
# TESTS       => "hBN/GW-OPTICS", #  (SAVED)
# KEYS        => "nopj elph hard bse rpa", # (SAVED)
# PAR_MODE    => "TEXT", # (TEXT can be default, random, loop)
#},
#
@flow = (
{
 ACTIVE      => "yes",
 TESTS       => "all",
 CONFIG      => "gfortran15.2_openmpi5.0_SP.sh",
 KEYS        => "all hard",
},
{
 MPI_CPU     => 4,
 PAR_MODE    => "random",
},
{
 MPI_CPU     => 4,
 PAR_MODE    => "default",
},
{
 MPI_CPU     => 2,
 THREADS     => 2,
 PAR_MODE    => "random",
}
);

You can specify the number of cores, the parallelization scheme (random vs default), and the number of threads for each run. Finally you can also provide a config file for automatic compilation which should be inside the ROBOTS/$machine_name/$user_name/CONFIGURATIONS folder. Having set up a flow you can run (with -report for developers) 

$nohup ./perltest_lumen.pl -flow gfortran15.2_openmpi5.0_SP_p4 -branch master -report &


More

TO DO

Python test-suite

The python test-suite is still experimental, simpler and more modular than the perl test-suite. First of all it is split into 3 independent python scripts:

  1. pycompile_lumen.py
  2. pytest_lumen.py
  3. preport_lumen.py

These 3 scripts share a configuration file in yaml libs_python/config.yaml. Below an example: 

parameters:
   gs_mode: "SAVE" # SAVE qe abi
   tests_dir: "TESTS/MAIN"
   scratch: "./scratch_python"
   lumen_src: "LUMEN_SOURCE_FOLDER"
   lumen_conf: "L"
   lumen_dir: "LUMEN_INSTALL_FOLDER"
   lumen_exe: "yambo"
   lpp_exe: "ypp"
   p2l_exe: "p2y"
   a2l_exe: "a2y"
   #abi_dir: "ABINIT_INSTALL_FOLDER/bin"
   #abi_exe: "abinit"
   #qe_dir: "QE_INSTALL_FOLDER/bin"
   #qe_exe: "pw.x"
   #lph_dir: "/LETZELPHC_INSTALL_FOLDER/src/src/"
   #lph_exe: "lelphc"
   nprocs: 8
   mpi_launcher: "mpirun"
   tollerance: 1.0
tests:
     # List of tests
     # Warning: do not set / as a last character,
     # e.g. Iron: ["abinit/Without-SOC/"] breaks the python script
     Al111: [""]
     Al_bulk: ["GW-OPTICS","ELPH"]
     Benzene: ["GW-OPTICS","MAGNETIC"]
     CH4: ["Distorted_A","Distorted_B","Distorted_A_fcc","Symmetric","Symmetric_b3lyp","MAGNETIC"]
     hBN: ["GW-OPTICS","GW-ANISOTROPY","GW-SHIFTED/SHIFTED","NONDIAGCELL","YPP","SC","RT"] #,"GW-SHIFTED/REGULAR"
     He: ["GW"]  #P2Y
     LiF: ["GW-OPTICS"]
     NiBr2: ["Without-SOC/GW-OPTICS"] #,"With-SOC/GW-OPTICS"]
     SiH4: [""]
     Si_surface: ["OPTICS"]
     C6H3Cl3: [""]
     H2: ["OPTICS","RT"]
     Iron: ["abinit/Without-SOC","abinit/With-SOC","pwscf/Without-SOC","pwscf/With-SOC"]
     MoS2: ["OPTICS-abi/With-SOC","OPTICS-abi/Without-SOC-sp1","OPTICS-abi/Without-SOC-sp2","OPTICS-qe/With-SOC","OPTICS-qe/Without-SOC-sp1","OPTICS-qe/Without-SOC-sp2","RT-qe"]
     MoS2: ["OPTICS-abi/With-SOC","OPTICS-abi/Without-SOC-sp1","OPTICS-abi/Without-SOC-sp2","OPTICS-qe/With-SOC","OPTICS-qe/Without-SOC-sp1","OPTICS-qe/Without-SOC-sp2","RT-qe","EXCPH-qe/With-SOC"]
     PA_chain: [""]
     Si_bulk: ["GW-OPTICS","PBE0","SC","RT","ELPH/base","ELPH/base_bz","ELPH/base_for_BSE","ELPH/OPTICS","ELPH/QP_CTL"]
     Si_wire: ["OPTICS"]
     # Hybrids
     # RT section
     AlAs: ["RT"]
     # ELPH section
     Diamond: ["ELPH1"]


Basic usage

pytest_lumen.py is meant to handle the tests alone. It does not compile the source. It cannot operate complex flows. It does not upload results to the php page. It reads info from the configuration file. The same info can also be passed via command line arguments.

However, at variance with the perl script, it can be used to also handle the ground state generation and conversion, either via abinit or via pw.x, ph.x, and lelphc executable, or directly using the provided lumen databases. The different way of running are controlled by the option gs_mode

Simple example (to fix) 

./pytest_lumen.py -tests Si_bulk -np 4 &

The output of a single run is stored inside the scratch folder, under the subfolder dedicated to the gs_mode. Each run is characterized by a string composed by the time at which it is started.

Advanced usage and generation of a flow

Results uploading, and more in general complex flows can be achieved by combining different commands. Here a simple example, which compiles the code and the launches a flow composed by 3 independent runs of the test suite 

#!/bin/bash

configure="gfortran.sh"
machine="giumello-ism"
user="USERNAME"

echo "$machine $user $"

echo "./pycompile_lumen.py -conf ROBOTS/$machine/$user/CONFIGURATIONS/$configure"
./pycompile_lumen.py -conf ROBOTS/$machine/$user/CONFIGURATIONS/$configure

echo "./pytest_lumen.py -np 1"
./pytest_lumen.py -np 1 >> ROBOpy_out 2>&1
output1=$(grep -a "SREPORT" ROBOpy_out | tail -1)
echo "\n Crontab script: $output1\n"

echo "./pytest_lumen.py -np 4"
./pytest_lumen.py -np 4 >> ROBOpy_out 2>&1
output4=$(grep -a "SREPORT" ROBOpy_out | tail -1)
echo "\n Crontab script: $output4\n"

echo "./pytest_lumen.py -np 8"
./pytest_lumen.py -np 8 >> ROBOpy_out 2>&1
output8=$(grep -a "SREPORT" ROBOpy_out | tail -1)
echo "\n Crontab script: $output8\n"

./pyreport_lumen.py -runs "$output1 $output4 $output8" -machine $machine -user $user


For the upload, and compilation step the backup_and_www_folder and the compiler_dir are also used.Credentials for uploading to the php server are loaded from the same file used by the perl test-suite

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