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Issue with the sgwpp #6

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nayak0399 opened this issue Jul 20, 2020 · 1 comment
Open

Issue with the sgwpp #6

nayak0399 opened this issue Jul 20, 2020 · 1 comment

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@nayak0399
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Hi,
I was unable to install the post-processing tools for SGW. while doing "make" I encountered with the error mentioned below.
Could you please suggest, how can I resolve this issue?
Thank you for the wonderful code.

mpif90 -O3 -g -x f95-cpp-input -D__FFTW -D__MPI -I../../../iotk/src -I../../../Modules -I../../../LAXlib -I../../../FFTXlib -I../../../PW/src -I../../../LR_Modules -I. -c mustar.f90
mustar.f90:36:25:

USE ktetra, ONLY : ltetra
1
Error: Symbol ‘ltetra’ referenced at (1) not found in module ‘ktetra’
mustar.f90:199:24:

IF (lgauss .or. ltetra) THEN
1
Error: Symbol ‘ltetra’ at (1) has no IMPLICIT type
mustar.f90:247:43:

WRITE(stdout, '( 5x, "nk1 nk2 nk3", 3i4)'), nk1, nk2, nk3
1
Warning: Legacy Extension: Comma before i/o item list at (1)
mustar.f90:248:46:

WRITE(stdout, '( 5x, "Fermi Vector", f12.7)'), kf
1
Warning: Legacy Extension: Comma before i/o item list at (1)
mustar.f90:249:53:

WRITE(stdout, '( 5x, "Thomas-Fermi Vector", f12.7)'), qtf
1
Warning: Legacy Extension: Comma before i/o item list at (1)
../../../make.inc:16: recipe for target 'mustar.o' failed
make: *** [mustar.o] Error 1

@hjunlee
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hjunlee commented Aug 24, 2020

Dear nayak0399:

The post-processing tools for the SternheimerGW (SGW) located in the directory of sgwpp are not compatible with the recent QE and the main SGW code in this repository; several modifications are needed.

Even though I managed to make both the SternheimerGW and the mustar compatible with QE v6.6, they have not yet been publicly available.

Sincerely,

Hyungjun Lee

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