Download and Install¶
Compatibility of EPW¶
- EPW is tested and should work on the following compilers and libraries:
gcc640 serial
gcc640 + openmpi-1.10.7
intel 12 + openmpi-1.10.7
intel 17 + impi
PGI 17 + mvapich2.3
- EPW is know to have the following incompatibilities with:
openmpi 2.0.2 (but likely on all the 2.x.x version): Works but memory leak. If you open and close a file a lot of times with openmpi 2.0.2, the memory increase linearly with the number of times the file is open.
PGI 17 + openmpi-1.10.7: I was not able to compile that version of openmpi. Issue related with ” pgfortran-Error-Unknown switch: -pthread “
To install EPW-5.8.0¶
1. Download version 7.3
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-7.3/q-e-qe-7.3.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-7.3.tar.gz && cd q-e-qe-7.3 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-7.3/bin/epw.x
orq-e-qe-7.3/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw
To install EPW-5.7.0¶
1. Download version 7.2
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-7.2/q-e-qe-7.2.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-7.2.tar.gz && cd q-e-qe-7.2 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-7.2/bin/epw.x
orq-e-qe-7.2/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw
To install EPW-5.6.0¶
Download
EPW v5.6 with QE
.Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-EPWv5.6.tar.gz && cd q-e-push && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-push/bin/epw.x
orq-e-push/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw
To install EPW-5.5.0¶
1. Download version 7.1
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-7.1/q-e-qe-7.1.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-7.1.tar.gz && cd q-e-qe-7.1 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-7.1/bin/epw.x
orq-e-qe-7.1/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.4.1¶
1. Download version 7.0
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-7.0/q-e-qe-7.0.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-7.0.tar.gz && cd q-e-qe-7.0 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-7.0/bin/epw.x
orq-e-qe-7.0/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.4.0¶
1. Download version 6.8
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.8/q-e-qe-6.8.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-6.8.tar.gz && cd q-e-qe-6.8 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-6.8/bin/epw.x
orq-e-qe-6.8/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.3.1¶
1. Download version 6.7
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.7MaX-Release/q-e-qe-6.7MaX-Release.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-6.7MaX-Release.tar.gz && cd q-e-qe-6.7MaX-Release && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-6.7MaX-Release/bin/epw.x
orq-e-qe-6.7MaX-Release/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.3.0¶
1. Download version 6.6
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.6/q-e-qe-6.6.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-6.6.tar.gz && cd q-e-qe-6.6 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-6.6/bin/epw.x
orq-e-qe-6.6/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.2.0¶
1. Download version 6.5
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.5/q-e-qe-6.5.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar xvfz q-e-qe-6.5.tar.gz && cd q-e-qe-6.5 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
q-e-qe-6.5/bin/epw.x
orq-e-qe-6.5/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.1.0¶
1. Download version 6.4
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.4/q-e-qe-6.4.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar -xvf qe-6.4_release_pack.tgz && cd qe_release_6.4 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make epw
The executable will be available in
qe_release_6.4/bin/epw.x
orqe_release_6.4/EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-5.0.0¶
1. Download version 6.3
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.3/q-e-qe-6.3.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar -xvf q-e-qe-6.3.tar.gz && cd q-e-qe-6.3 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make pwall
make ph
make epw
The executable will be available in
q-e-qe-6.3/bin/epw.x
orq-e-qe-6.3//EPW/bin/epw.x
5. The test-suite should be included in the download. You can then go inside the test-suite and run tests to make sure that everything works.
cd test-suite
make run-tests-epw-parallel
To install EPW-4.3.1¶
1. Download version 6.2.1
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.2.1/q-e-qe-6.2.1.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar -xvf qe-6.2.1.tar.gz && cd qe-6.2.1 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make pwall
make ph
make epw
The executable will be available in
qe-6.2.1/bin/epw.x
orqe-6.2.1/EPW/bin/epw.x
5. You can also download the QE test-suite (that includes EPW tests) at qe-6.2.1-test-suite
. Place the folder inside /qe-6.2.1.
You can then go inside the test-suite and run tests to make sure that everything works.
To install EPW-4.3¶
1. Download version 6.2.0
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.2.0/q-e-qe-6.2.0.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar -xvf qe-6.2.tar.gz && cd qe-6.2 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
cd ../../
make pwall
make ph
make epw
The executable will be available in
qe-6.2/bin/epw.x
orqe-6.2/EPW/bin/epw.x
5. You can also download the QE test-suite (that includes EPW tests) at qe-6.2-test-suite
. Place the folder inside /qe-6.2.
You can then go inside the test-suite and run tests to make sure that everything works.
To install EPW-4.2¶
1. Download version 6.1.0
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.1.0/q-e-qe-6.1.0.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar -xvf qe-6.1.tar.gz && cd qe-6.1 && ./configure
Due to a change in the symmetries of QE, a bugfix has been created:
cd EPW/src
wget http://epw.org.uk/uploads/Main/epw.f90
wget http://epw.org.uk/uploads/Main/elphon_shuffle_wrap.f90
If your “wget” creates a new file like “epw.f90.1” then you need to do “mv epw.f90.1 epw.f90” to replace the file.
Compile EPW (this will also compile pwscf, phonon, and wannier90):
cd ../../
make pwall
make ph
make epw
The executable will be available in
qe-6.1/bin/epw.x
orqe-6.1/EPW/bin/epw.x
6. You can also download the QE test-suite (that includes EPW tests) at qe-6.1-test-suite
. Place the folder inside /qe-6.1.
You can then go inside the test-suite and run tests to make sure that everything works.
To install EPW-4.1¶
1. Download version 6.0.0
of Quantum-ESPRESSO.
For this you can copy/paste the following on your terminal:
wget https://gitlab.com/QEF/q-e/-/archive/qe-6.0.0/q-e-qe-6.0.0.tar.gz
Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines:
tar -xvf qe-6.0.tar.gz && cd qe-6.0 && ./configure
Compile EPW (this will also compile pwscf, phonon, and wannier90):
make pwall
make ph
make epw
The executable will be available in
qe-6.0/bin/epw.x
orqe-6.0/EPW/bin/epw.x
5. You can also download the QE test-suite (that includes EPW tests) at qe-6.0-test-suite
. Place the folder inside /qe-6.0.
You can then go inside the test-suite and run tests to make sure that everything works.
Video tutorial¶
This video tutorial can also be found here: https://www.youtube.com/watch?v=7jZ-C5FNfgU