[Pw_forum] gipaw in 6.2.1 was Re: gipaw cannot be compiled in QE 6.2

[Paolo Giannozzi]

Thank you for the patches. The URL is actually correct: the redirection
should be done on qe-forge.org, via a configuration file. Qe-forge is
anyway going offline at the end of month, so it is not worth to try to fix
it

Paolo

On Fri, Feb 16, 2018 at 8:06 PM, Scott Brozell <srb at osc.edu> wrote:

> Hi,
>
> This is not fixed in 6.2.1 because an incorrect url is still
> produced in install/plugins_list.
> Attached is a patch file for install/install_utils which
> improves the error handling when an incorrect url is used; see 1.
> Also attached is a patch file for install/plugins_list which
> produces the correct url for gipaw; see 2.
>
> Unfortunately, compilation errors are then encountered using various
> versions of intel compilers - 17 and 18.  I am looking for help on
> this, see 3.
>
> 1.
> If an incorrect url is produced in install/plugins_list then
> download_and_unpack in install/install_utils ignores errors from
> gzip and tar.  Target uncompress-gipaw in plugins_makefile finishes
> without error and configuration for gipaw is started.
>
> install_utils.patch changes this behavior so that uncompress-gipaw
> produces an error which terminates the gipaw build:
> ===
>     0 -rw-r--r-- 1 me hpcsoft        2 Feb 13 19:50 qe-gipaw-6.2.tar.gz
>
> gzip: ../archive/qe-gipaw-6.2.tar.gz: not in gzip format
> tar: This does not look like a tar archive
> tar: Exiting with failure status due to previous errors
> *** Unable to download http://files.qe-forge.org/
> index.php?file=qe-gipaw-6.2.tar.gz.
> *** Verify that the url is correct.
> make: *** [uncompress-gipaw] Error 1
> ===
>
> 2.
> An incorrect url is produced in install/plugins_list because
> $(URL) is used:
> ===
> URL=http://files.qe-forge.org/index.php?file=
> ...
> GIPAW=qe-gipaw-6.2
> GIPAW_URL=$(URL)$(GIPAW).tar.gz
> ===
> This is corrected in plugins_list.patch.
>
> 3.
> mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__FFTW -D__MPI
> -D__SCALAPACK   -I/usr/local
> /src/espresso/qe-6.2.1-intel-18.0.0//include -I/usr/local/src/espresso/qe-
> 6.2.1-intel-18.0.0//FoX/finc
> lude -I../include/ -I/usr/local/src/espresso/qe-6.2.1-intel-18.0.0/iotk/src
> -I/usr/local/src/espresso/
> qe-6.2.1-intel-18.0.0/Modules -I/usr/local/src/espresso/qe-6.2.1-intel-18.0.0/FFTXlib
> -I/usr/local/src
> /espresso/qe-6.2.1-intel-18.0.0/LAXlib -I/usr/local/src/espresso/qe-
> 6.2.1-intel-18.0.0/KS_Solvers/CG -
> I/usr/local/src/espresso/qe-6.2.1-intel-18.0.0/KS_Solvers/Davidson
> -I/usr/local/src/espresso/qe-6.2.1-
> intel-18.0.0/PW/src -I/usr/local/src/espresso/qe-6.2.1-intel-18.0.0/UtilXlib
> -I. -c paw_gipaw.f90
> paw_gipaw.f90(157): error #6580: Name in only-list does not exist or is
> not accessible.   [SCAN_BEGIN]
>     use upf_module,         only : scan_begin, scan_end
> -----------------------------------^
> paw_gipaw.f90(157): error #6580: Name in only-list does not exist or is
> not accessible.   [SCAN_END]
>     use upf_module,         only : scan_begin, scan_end
> -----------------------------------------------^
> ...
>
> I did a little bit of investigation; my guess is that gipaw is out of
> sync with the main code branch or maybe that there is a module include
> mixup.  Note that XSpectra/src/paw_gipaw.f90 uses read_upf_v1_module
> instead of upf_module.
>
> thanks,
> scott
>
> Scott Brozell, Ph.D.
> Scientific Applications Group
> Ohio Supercomputer Center
> Columbus, OH 43212
>
>
> On Fri, Oct 27, 2017 at 11:07:58AM +0200, Davide Ceresoli wrote:
> >      please modify the file install/plugins_list as follows:
> > GIPAW=qe-gipaw-6.2
> > GIPAW_URL=http://qe-forge.org/gf/download/frsrelease/245/
> 1119/qe-gipaw-6.2.tar.gz
> >
> > On 10/25/2017 09:56 AM, José Carlos Conesa wrote:
> > > I installed this recent version of QE and, after completing make all,
> when I do
> > > make gipaw I find the following:
> > >
> > > configure: error: Cannot compile against this version of
> Quantum-Espresso
>
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>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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