Dear Chris,
You are right, the version of the Environ plugin that was on the website (release 0.2, released in 2016) was not compatible with the new version of QE, due to some recent changes in the FFT derived data types. Together with the other developers of Environ, we have patched Environ-0.2 in order to be still compatible with the new release of QE. I have just uploaded the new archive (Environ-0.2_for_QE-6.2.tgz) on the QE-Forge portal, http://qe-forge.org/gf/project/electroemb/frs/. I also renamed the previous archive to reflect the fact that it is only compatible with QE versions from 5.3.0 to 6.1.0, included. Please let me know if you have any problem with the new version of the library, at compilation or at run time. Thank you for you time and sorry again for the inconvenience. Best regards, Oliviero Andreussi -- Senior Postdoctoral Researcher École Polytechnique Fédérale de Lausanne (EPFL) and Università della Svizzera Italiana (USI) of Lugano USI Campus, Via G. Buffi 17, 6904 Lugano, Switzerland Emails: oliviero.andreussi @ epfl.ch -or- usi.ch Tel: +41-(0)58-666-4810 / Skype: olivieroandreussi Web: https://sites.google.com/site/olivieroandreussi ________________________________ From: [email protected] <[email protected]> on behalf of MUIR,Christopher <[email protected]> Sent: Wednesday, November 1, 2017 7:45:25 PM To: [email protected] Subject: [Pw_forum] QE 6.2 + Environ 0.2 Hi everyone, I have been attempting to assist one of our researchers in using QE with environ. I’ve successfully compiled QE 6.2 using the following: Intel compiler 17.0.2 Intel MPI 2.174 Intel MKL 2.174 And used the following: ./configure --enable-environment --enable-parallel --with-scalapack=intel FFT_LIBS="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" This seems to work fine but when I try to install Environ, the patches seem to run fine and all the necessary files seem to have been generated and modified. Attempts to compile pw.x with environ lead to the following error: mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__ENVIRONMENT -D__DFTI -D__MPI -D__SCALAPACK -I/home/cmuir/qe-6.2//include -I/home/cmuir/qe-6.2//FoX/finclude -I../include/ -I/cm/shared/apps/intel/compilers_and_libraries/2017.2.174/mkl/include -I../../iotk/src -I../../Modules -I../../FFTXlib -I../../LAXlib -I../../UtilXlib -I../../KS_Solvers/Davidson -I../../KS_Solvers/CG -c plugin_initbase.f90 plugin_initbase.f90(30): error #6460: This is not a field name that is defined in the encompassing structure. [NPP] ir_end = MIN(dfftp%nnr,dfftp%nr1x*dfftp%nr2x*dfftp%npp(me_bgrp+1)) -----------------------------------------------------^ plugin_initbase.f90(30): error #6158: The structure-name is invalid or is missing. [DFFTP] ir_end = MIN(dfftp%nnr,dfftp%nr1x*dfftp%nr2x*dfftp%npp(me_bgrp+1)) -----------------------------------------------^ compilation aborted for plugin_initbase.f90 (code 1) Not a fortran programmer but it’s looking like the dfftp and npp variables were not imported into plugin_initbase.f90 Can anyone assist? Thanks Chris ------------------------------------------------------------------------------------------------------------------------------------------------ Christopher Muir Information Technology Officer Mona Information Technology Services The University of the West Indies Mona Campus Jamaica, W.I. T: 876-977-1785 E: [email protected]<mailto:[email protected]> CONFIDENTIALITY: This email (including any attachments) may contain confidential, proprietary and/or privileged information. Any duplication, copying, distribution, dissemination, transmission, disclosure or use in any manner of this email (including any attachments) without the authorisation of the sender is strictly prohibited. If you receive this email (including any attachments) in error, please notify the sender and delete this email (including any attachments) from your system. Thank you. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
