Yambo Community Forum

Posted: **Thu Feb 13, 2020 8:52 pm**

Dear Yambo Developers,

I am facing the same p2y problem as mentioned in this thread and pasted below, I am using the latest version of Quantum ESPRESSO (v6.5) and Yambo 4.5.

I have not changed the names of PPs. Since a patch is given in the thread also, but I don't know how to apply the patch since I have never done this before, so please help me in this issue.

Code: Select all

 <22s> == DB2 (wavefunctions)  ...
 <01h-31m-46s> [p2y] wfc_io |########################################| [100%] 01h-31m-23s(E) 01h-31m-23s(X) done ==
 <01h-31m-46s> == DB3 (PseudoPotential) ...########################################################################################################################
# WARNING: there are pending errors
# PENDING ERROR (ierr=1)
# ERROR IN: iotk_open_read (iotk_files.F:663)
# CVS Revision: 1.20
# unit
file=.//data-file.xml
binary=F
iostat=29
# PENDING ERROR (ierr=2)
# ERROR IN: iotk_scan_empty (iotk_scan.F:440)
# CVS Revision: 1.23
# Tag not found
namel=fft_grid
# PENDING ERROR (ierr=3)
# ERROR IN: iotk_scan_empty (iotk_scan.F:440)
# CVS Revision: 1.23
# Tag not found
namel=fft_smooth
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=4)
# ERROR IN: iotk_getline (iotk_scan.F:1010)
# CVS Revision: 1.23
#
iostat=-1
# ERROR IN: iotk_scan_tag (iotk_scan.F:745)
# CVS Revision: 1.23
# ERROR IN: iotk_scan (iotk_scan.F:934)
# CVS Revision: 1.23
# ERROR IN: iotk_scan_begin (iotk_scan.F:94)
# CVS Revision: 1.23
########################################################################################################################

Regards,
Haseeb Ahmad,
LUMS - Pakistan.

Posted: **Thu Feb 13, 2020 8:57 pm**

Dear Haseeb,
here some examples on how to apply patches:
https://www.thegeekstuff.com/2014/12/pa ... -examples/

Best,
Daniele

Posted: **Thu Feb 13, 2020 9:37 pm**

Thanks dear Daniele for sharing the link.

I have read that but still have confusion.

1: Should I copy the patch code (which is provided in the thread) as a path file content? say making my_pathch.patch

2: And then run the created patch file from the home directory of the Yambo as $ patch < my_patch.patch?

3: recompile the code?

diff --git a/lib/qe_pseudo/read_upf_v2.F b/lib/qe_pseudo/read_upf_v2.F

I know the /lib/qe_pseudo/read_upf_v2.F is the location of the file,

but what is --git for? When I just run diff --git, this gives me an error as --git is not recognized!

Thanks,
Haseeb Ahmad
LUMS - Pakistan

Posted: **Thu Feb 13, 2020 9:49 pm**

Dear Haseeb,
save the text posted by Andrea in a file patch.txt
type:
patch /lib/qe_pseudo/read_upf_v2.F < patch.txt
recompile.

Best,

Daniele

Posted: **Thu Feb 13, 2020 10:18 pm**

Thank you for your fast responses.

I am now able to apply the patch and then have recompiled the code using make yambo interfaces in the main directory. But the problem still persists.

Thanks,
Haseeb Ahmad,
LUMS - Pakistan.

Posted: **Thu Feb 13, 2020 10:24 pm**

Has this problem happened only in the new version (4.5.0)? Should I downgrade to the previous version to see if it works?

Regards,
Haseeb Ahmad,
LUMS - Pakistan

Posted: **Thu Feb 13, 2020 10:26 pm**

Dear Haseeb,
please update your source to the last verison of yambo: 4.5.
If you still have a problem please post your scf/nscf input files together with your pseudopotentials and the config.log such that we can reproduce the problem.
Best,
Daniele

Posted: **Thu Feb 13, 2020 10:44 pm**

Okay, Dear Daniele, I will do it and will let you know about it ASAP.

Thanks for helping and for your kind response,

Haseeb Ahmad,
LUMS - Pakistan

Posted: **Fri Feb 14, 2020 8:51 am**

Dear Daniele,

It is working now! Thank you very much.

Regards,
Haseeb Ahmad,
LUMS - Pakistan

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