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Conference call notes 20160622
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Notes on the 54th EasyBuild conference call, Wednesday June 22nd 2016 (5pm - 5.30pm CET)
Alphabetical list of attendees (4):
- Fotis Georgatos (Illumina, UK)
- Kenneth Hoste (HPC-UGent)
- Adam Huffman (Francis Crick Institute, UK)
- Alan O'Cais (JSC, Germany)
outlook to future EasyBuild releases: v2.8.2 (July'16), v2.9.0 (Sept'16), v3.0.0 (Nov'16)
discuss test results for candidates for
foss/2016b
andintel/2016b
common toolchain candidatesQ&A
EasyBuild v2.8.2: (mostly) bug fix release before summer holidays
- most changes are bug fixes, so sticking with v2.8.x for now
eb --check-conflicts
is the only new feature indevelop
now...- planned for early July'16
EasyBuild v2.9.0: feature release, preparing for v3.0.0
- planned for Sept'16
- make sure behaviour that will be broken in v3.0.0 is deprecated
- alternatives are available for evaluation
EasyBuild v3.0.0: major new releases, breaking backwards compatibility in minor ways
- Nov'16 (?)
- hopefully incl. support for RPATH linking
foss/2016.06
as prime candidate forfoss/2016b
:- GCC 5.4 + binutils 2.26
- OpenMPI 1.10.3
- OpenBLAS 0.2.18 + LAPACK 3.6.0 + ScaLAPACK 2.0.2
- FFTW 3.3.4
- note: all latest & greatest, except for GCC 6.1
intel/2016.03-GCC-5.4
as prime candidate forintel/2016b
:- GCC 5.4 + binutils 2.26
- icc & ifort 2016.3.210
- impi 5.1.13
- imkl 11.3.3.210
- note: all latest & greatest
test results, rebuilding all
2016a
easyconfigs via naive--try-toolchain
:foss/2016.06
: success for 278/279 easyconfigsOK: BioPerl; Boost; BWA; GMP; GROMACS; GSL; HDF5; IPython; LLVM; libX; MariaDB; Mesa; netCDF*; Perl 5.22.1 w/ extensions; Python 2.7.11 & 3.5.1 w/ numpy/scipy/pandas/...; R 3.2.3 w/ extensions; QT 4.8.7 & 5.6.0; SAMtools; etc.
only RMBlast failed due to a hard check on the GCC version
intel/2016.03-GCC-5.4
: success for 384/413 easyconfigsOK: BioPerl; BWA; Boost; CLHEP; FSL; GAMESS-US; GATE 6.2 & 7.1; GMP; GROMACS; GSL; Geant4; HDF5; IPython; LLVM; libX; MariaDB; Mesa; NGS; netCDF*; OpenFOAM 2.2.2 & OpenFOAM-Extend 3.2; Perl 5.20.3 & 5.22.2; Python 2.7.11 & 3.5.1 w/ numpy/scipy/pandas/scikit-learn/...; Qt 4.8.7; R 3.2.3 w/ extensions; ROOT; SAMtools; WRF; etc.
11 failed builds + 18 more due to missing deps:
- HISAT2: failed due to linking with
g++
to Intel-built libraries (easy fix?) - Amber: failed due to hard check on GCC version (by CUDA)
- GCC 5 compat fixed in next release of CUDA 8.x?
- mysqlclient & MySQL-Python: weird symbol issue with
libmysqlclient
library (ld.gold
issue?) - PCMSolver:
error: namespace "std" has no member "nullptr_t"
- GATE 7.2:
error: no operator "<<" matches these operands
(missing "#include <string>
" ?) - Qt 5.6.0:
error #809: exception specification for virtual function ... is incompatible with that of overridden function
- HarfBuzz & GST-plugins:
error: identifier "__builtin_uadd_overflow" is undefined
(not implemented by Intel)
- HISAT2: failed due to linking with
will be pushed to ML for further feedback
Alan: CUDA is not (officially) compatible yet with GCC 5.x
Fotis: overview of software (versions) vs toolchains in a 'matrix' online: what (doesn't) work, etc?
topics for EB summer intern @ HPC-UGent
. yeb bug fixes
fat .yeb format?
finish auto-doc PRs...
templates for
easy way to install GitPython, keyring, etc. in existing EasyBuild installation
eb --enhance GitPython
support for letting EasyBuild update itself (install most recent EB as a module):
eb --update-self
- fetch easyconfig for latest EasyBuild version from develop branch
eb --try-update
- determine latest version of specified software package and do
--try-software-version
- determine latest version of specified software package and do
improve
--new-pr
,--update-pr
& cosupport for getting overview of supported toolchain options
Fotis: packaging Lmod
- distro-packaged versions are not always useful because they can't be easily reconfigured?
- other than with environment variables
- Fotis' packaging effort:
- feature request for Lmod: more 'solid' way of reconfiguring a packaged Lmod?
- better than 'just' environment variables
- can all settings be controlled via
lmodrc
?
- Adam uses EPEL package for Lmod
- issue with
module use
not following newly invoked bash shells is fixed now?
- issue with
- distro-packaged versions are not always useful because they can't be easily reconfigured?
Fotis: Lmod hardwires
BASH_ENV
- cfr. https://.com/plabrop/bic/issues/33
- implies that
BASH_ENV
can be used for anything else anymore - lots of 'overhead' in output of
bash -fx
- is this an actual problem for people?
- are people to work around this by ing?
- Kenneth/Adam: poll on Lmod mailing list?
- 'best' alternative is to
bash
itself? :(
bootstrapping EasyBuild without having a modules tool
- script by Alan: https://gist..com/ocaisa/1ff64009b0c91acc84eae00bb1cb3d65
- downloads
modulecmd.tcl
, used for installing EB, Lmod gets installed with EB - could be integrated in EB bootstrap script as fallback for not having a modules tool installed?
- still required Python2 & Tcl to be available