If the below works, can you let us know and I can PR an update the easyconfig.

On 10-Aug-23 4:09 PM, Alan O'Cais wrote:

Dear Steen,


It _looks_ like this could be resolved with giving the option `-ffree-line-length-512` to GFortran. I suspect that __FILE__ is a very long string and it is pushing the line length over the limit (which is why others may not have seen it). The second error is (I think) a consequence of the truncation.


Edit the relevant easyconfig line to be

local_extra_flags = '-fallow-argument-mismatch -ffree-line-length-512'


Alan


On 10-Aug-23 3:41 PM, Steen Lysgaard wrote:
Hello,

I am trying to install BigDFT with the easyconfig file BigDFT-1.9.1-foss-2021b.eb (eb BigDFT-1.9.1-foss-2021b.eb -r --detect-loaded-modules=unload)

However, the installation fails, with what seems to be an error with the compilation of a Fortran file of libAbinit which is included in the BigDFT package.

The following error message is present in the log file:

mpifort -DHAVE_LIBPAW_BIGDFT -DHAVE_DFT_LIBXC -DHAVE_MPI -DHAVE_MPI1 -I. [... Removed Include instructions ...] -O2 -ftree-vectorize -march=native -fno-math-errno -fallow-argument-mismatch -fallow-argument-mismatch   -std=legacy -c -o m_libpaw_tools.o `test -f 'libpaw/m_libpaw_tools.F90' || echo '/home/scratch3/stly/modules/icelake-modules-test/build/BigDFT/1.9.1/foss-2021b/bigd
ft-suite-1.9.1/libABINIT/src/'`libpaw/m_libpaw_tools.F90
/home/scratch3/stly/modules/icelake-modules-test/build/BigDFT/1.9.1/foss-2021b/bigdft-suite-1.9.1/libABINIT/src/libpaw/m_libpaw_tools.F90:408:132:
    408 | &  __FILE__,__LINE__)
        |                                                1
  Error: Line truncated at (1) [-Werror=line-truncation]
/home/scratch3/stly/modules/icelake-modules-test/build/BigDFT/1.9.1/foss-2021b/bigdft-suite-1.9.1/libABINIT/src/libpaw/m_libpaw_tools.F90:408:5:
    408 | &  __FILE__,__LINE__)
        |     1
  Error: Unterminated character constant beginning at (1)
  f951: some warnings being treated as errors
  make[1]: *** [Makefile:1908: m_libpaw_tools.o] Error 1
  make[1]: *** Waiting for unfinished jobs....
  make[1]: Leaving directory '/home/scratch3/stly/modules/icelake-modules-test/build/BigDFT/1.9.1/foss-2021b/bigdft-suite-1.9.1/bigdft_builddir/libABINIT/src'
  make: *** [Makefile:367: all-recursive] Error 1
  *** Building libABINIT *** [8/11]^O
  make -j 113
  *** Error during phase build of libABINIT: ########## Error running make -j 113  *** [8/11]^O

I can get around the first error with -Wno-error=line-truncation, but not the second one, and I don't really understand it.

I have tried the newer 1.9.4 version of BigDFT, where the problem seems to persist. It also happens with foss-2022a

Some info:
$ uname -r
4.18.0-477.15.1.el8_8.x86_64

$ lsb_release -a
LSB Version:  :core-4.1-amd64:core-4.1-noarch
Distributor ID: AlmaLinux
Description:    AlmaLinux release 8.8 (Sapphire Caracal)
Release:        8.8
Codename:       SapphireCaracal

If anybody can help it would be much appreciated.

Best regards,
Steen


        
Steen Lysgaard
Scientific Software Developer
DTU Energy
Mob. +45 51 94 48 86
[email protected] <mailto:[email protected]>
Anker Engelunds Vej
Building 301
2800 Kgs. Lyngby
www.dtu.dk/english <https://www.dtu.dk/english>

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