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.
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