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

[Scott Brozell]

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
-------------- next part --------------
*** install_utils.original	2017-12-11 11:52:53.000000000 -0500
--- install_utils	2018-02-14 13:51:50.266359000 -0500
***************
*** 28,32 ****
    exit 1 ; fi ; fi ; fi)
    if test ! -e ../$(3); then \
    (gzip -dc ../archive/`echo "$(2)" | sed 's/.*\///;s/.*=//'` | \
!     (cd ../ ; tar -xvf - ; ln -s $(1) $(3)) ) ; fi
  endef
--- 28,38 ----
    exit 1 ; fi ; fi ; fi)
    if test ! -e ../$(3); then \
    (gzip -dc ../archive/`echo "$(2)" | sed 's/.*\///;s/.*=//'` | \
!     (cd ../ ; tar -xvf - ) ) ; \
!   if test "`echo $$?`" -ne "0" ; then \
!   echo "*** Unable to download $(2)." ; \
!   echo "*** Verify that the url is correct." ; \
!   exit 1 ; \
!   else \
!   (cd ../ ; ln -s $(1) $(3)) ; fi ; fi
  endef
-------------- next part --------------
*** plugins_list.original	2018-02-13 19:24:02.471972000 -0500
--- plugins_list	2018-02-13 19:23:23.578573000 -0500
***************
*** 35,43 ****
  SAX_URL=$(URL)$(SAX).tar.gz
  #
  # Package maintainer: Davide Ceresoli
- #GIPAW=qe-gipaw-6.1
  GIPAW=qe-gipaw-6.2
! GIPAW_URL=$(URL)$(GIPAW).tar.gz
  #
  # Package maintainer: Layla Martin-Samos
  PLUMED=plumed-1.3-qe
--- 35,42 ----
  SAX_URL=$(URL)$(SAX).tar.gz
  #
  # Package maintainer: Davide Ceresoli
  GIPAW=qe-gipaw-6.2
! GIPAW_URL=http://qe-forge.org/gf/download/frsrelease/245/1119/$(GIPAW).tar.gz
  #
  # Package maintainer: Layla Martin-Samos
  PLUMED=plumed-1.3-qe