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Compilation error with qe-7.2 and 6.6 #184

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nayraa78 opened this issue Jul 24, 2023 · 1 comment
Open

Compilation error with qe-7.2 and 6.6 #184

nayraa78 opened this issue Jul 24, 2023 · 1 comment

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@nayraa78
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Hello,

I get the following error after trying to compile pw2z2pack.f90 with quantum espresso 7.2 and 6.6 :

mpiifort -O2 -assume byterecl -g -traceback -nomodule -fpp -D__DFTI -D__MPI -Duse_beef -I/gpfs/fs1/home/alvarezp/source/qe-6.6//include -I/gpfs/fs1/home/alvarezp/source/qe-6.6//FoX/finclude -I/gpfs/fs1/home/alvarezp/source/qe-6.6//S3DE/iotk/include/ -I/cluster/easybuild/broadwell/software/imkl/2021.4.0/mkl/2021.4.0/include -I/gpfs/fs1/home/alvarezp/source/qe-6.6//iotk/src -I/gpfs/fs1/home/alvarezp/source/qe-6.6//upflib -I/gpfs/fs1/home/alvarezp/source/qe-6.6//Modules -I/gpfs/fs1/home/alvarezp/source/qe-6.6//FFTXlib -I/gpfs/fs1/home/alvarezp/source/qe-6.6//LAXlib -I/gpfs/fs1/home/alvarezp/source/qe-6.6//UtilXlib -I/gpfs/fs1/home/alvarezp/source/qe-6.6//FoX/finclude -I../../PW/src -I../../dft-d3/ -c pw2z2pack.f90
pw2z2pack.f90(71): error #6580: Name in only-list does not exist or is not accessible. [ECUTWFC]
USE wvfct, ONLY : nbnd,ecutwfc
------------------------------^
pw2z2pack.f90(342): error #6580: Name in only-list does not exist or is not accessible. [IGK]
USE wvfct, ONLY : nbnd, npw, npwx, igk, g2kin
------------------------------------------------^
pw2z2pack.f90(364): error #6580: Name in only-list does not exist or is not accessible. [ECUTWFC]
USE wvfct, ONLY : ecutwfc
-------------------------------^
pw2z2pack.f90(344): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [WAVEFUNCTIONS_MODULE]
USE wavefunctions_module, ONLY : psic, psic_nc
-------^
pw2z2pack.f90(347): error #6580: Name in only-list does not exist or is not accessible. [NLS]
USE gvecs, ONLY : nls, nlsm
-----------------------------^
pw2z2pack.f90(347): error #6580: Name in only-list does not exist or is not accessible. [NLSM]
USE gvecs, ONLY : nls, nlsm
----------------------------------^
pw2z2pack.f90(350): error #6580: Name in only-list does not exist or is not accessible. [NL]
USE gvect, ONLY : g, ngm, gstart, nl
-----------------------------------------------^
pw2z2pack.f90(365): error #6580: Name in only-list does not exist or is not accessible. [FTAU]
USE symm_base, ONLY : ftau
-------------------------------^
pw2z2pack.f90(507): error #6911: The syntax of this substring is invalid. [FTAU]
ftau_=ftau(:,isym)
------------^
pw2z2pack.f90(860): error #6580: Name in only-list does not exist or is not accessible. [FTAU]
USE symm_base, ONLY : s,sr,ftau, nsym,sname,ft
------------------------------------^
pw2z2pack.f90(898): error #6911: The syntax of this substring is invalid. [FTAU]
ftau_=ftau(:,isym)
--------^
pw2z2pack.f90(1110): error #6580: Name in only-list does not exist or is not accessible. [NL]
USE gvect, ONLY : ngm, nl
-----------------------------^
pw2z2pack.f90(1111): error #6580: Name in only-list does not exist or is not accessible. [IGK]
USE wvfct, ONLY : nbnd, npwx, npw, igk
-----------------------------------------^
pw2z2pack.f90(1177): error #6404: This name does not have a type, and must have an explicit type. [NL]
psic(nl(igk(1:npw)),ibnd) = evc_nc(1:npw,ipol,ibnd)
-------------^
pw2z2pack.f90(1177): error #6366: The shapes of the array expressions do not conform. [PSIC]
psic(nl(igk(1:npw)),ibnd) = evc_nc(1:npw,ipol,ibnd)
--------^
compilation aborted for pw2z2pack.f90 (code 1)
make: *** [../../make.inc:16: pw2z2pack.o] Error 1

Can you please help me solving the installation issue?

@greschd
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greschd commented Aug 1, 2023

The pw2z2pack.f90 module is based on pw2wannier90 as it was shipped with QE 5.3.0. To the best of my knowledge, it's not compatible with other versions of QE.

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