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 " .. The text on v6alpha is commented out temporarily To install EPW-6.0alpha ======================= 1. Download :download:`EPW v6.0alpha with QE `. 2. Unpack and configure Quantum-ESPRESSO. This can be done by copy/pasting the following lines: ``tar xvfz q-e-epw6alpha.tar.gz && cd q-e && ./configure --enable-openmp --with-hdf5=${HDF5_DIR}`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The example can be found in ``q-e/EPW/examples/mgb2-epw6alpha`` 5. This EPW v6alpha version doesn't include some functionalities and fixes which will be included in the production v6 version. For this alpha version, support is limited and we recommend users to use EPW v5.7 for the production runs. We will announce the release date here. To install EPW-5.8.0 ==================== 1. Download :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-7.3/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-7.2/bin/epw.x`` or ``q-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 ==================== 1. Download :download:`EPW v5.6 with QE `. 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-push/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-7.1/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-7.0/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-6.8/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-6.7MaX-Release/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-6.6/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``q-e-qe-6.5/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make epw`` 4. The executable will be available in ``qe_release_6.4/bin/epw.x`` or ``qe_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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make pwall`` ``make ph`` ``make epw`` 4. The executable will be available in ``q-e-qe-6.3/bin/epw.x`` or ``q-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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make pwall`` ``make ph`` ``make epw`` 4. The executable will be available in ``qe-6.2.1/bin/epw.x`` or ``qe-6.2.1/EPW/bin/epw.x`` 5. You can also download the QE test-suite (that includes EPW tests) at :download:`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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``cd ../../`` ``make pwall`` ``make ph`` ``make epw`` 4. The executable will be available in ``qe-6.2/bin/epw.x`` or ``qe-6.2/EPW/bin/epw.x`` 5. You can also download the QE test-suite (that includes EPW tests) at :download:`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 :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`` 2. 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`` 3. 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. 4. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``cd ../../`` ``make pwall`` ``make ph`` ``make epw`` 5. The executable will be available in ``qe-6.1/bin/epw.x`` or ``qe-6.1/EPW/bin/epw.x`` 6. You can also download the QE test-suite (that includes EPW tests) at :download:`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 :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`` 2. 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`` 3. Compile EPW (this will also compile pwscf, phonon, and wannier90): ``make pwall`` ``make ph`` ``make epw`` 4. The executable will be available in ``qe-6.0/bin/epw.x`` or ``qe-6.0/EPW/bin/epw.x`` 5. You can also download the QE test-suite (that includes EPW tests) at :download:`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 ============== .. raw:: html This video tutorial can also be found here: `https://www.youtube.com/watch?v=7jZ-C5FNfgU `_