Hi Alan,
adding -ffree-line-length-512 as you suggested makes the build work! Many
thanks.
One additional question though:
On a different server we have the attr package installed by the package manager:
$ yum list 'attr*'
Installed Packages
attr.x86_64
2.4.46-13.el7 @anaconda
BigDFT has the attr v. 2.5.1 package as a dependency. Thus when building BigDFT
it uses attr v. 2.5.1 and this makes it not recognize any commands e.g. tar.
The error message is:
List of modules to be treated: I: unknown keys defined in configuration file:
addpath
tar: relocation error: /lib64/libacl.so.1: symbol getxattr, version ATTR_1.0
not defined in file libattr.so.1 with link time reference
jhbuild build: failed to unpack
/home/scratch3/stly/modules/skylake-modules-test/build/BigDFT/1.9.1/foss-2021b/bigdft-suite-1.9.1/yaml-0.1.6.tar.gz
Commenting out the attr dependency in the easyconfig file leads to a undefined
reference errors:
D_potrf_double: error: undefined reference to 'dpotrf_'
/home/scratch3/stly/modules/skylake-modules-test/build/BigDFT/1.9.1/foss-2021b/bigdft-suite-1.9.1/bigdft_builddir/install/lib/libfutile-1.a(linalg.o):linalg.f90:function
__wrapper_linalg_MO D_potrf_simple: error: undefined reference to 'spotrf_'
collect2: error: ld returned 1 exit status
make[3]: *** [chess_toolbox] Error 1
Any advice on this issue?
Best regards,
Steen
________________________________
From: Alan O'Cais
Sent: Thursday, August 10, 2023 17:09
To: Steen Lysgaard
Cc: easybuild
Subject: Re: [easybuild] BigDFT build issue: BigDFT-1.9.1-foss-2021b.eb
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
[http://www.dtu.dk/-/media/DTU_Generelt/Andet/mail-signature-logo.png]
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
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