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Version | Date | Comment |
gpawv1 | 9/14/10 | gpaw 0.7.6383, first attempt at SUNCAT gpaw installation |
gpawv2 | 9/21/10 | move from standard lapack libraries to acml,blacs,scalapack to improve performance |
gpawv3 | 9/30/10 | move from ase 3.4.0 to 3.4.1 |
gpawv4 | 10/15/10 | check out a gpaw svn branch for hannesj/aleksandra |
gpawv5 | 10/15/10 | copy of v3, add scipy |
gpawv6 | 10/22/10 | copy of v5, move GPAW to head for venkat (gpaw 0.8.0) |
gpawv7 | 11/9/10 | gpaw 0.7.2.6974, switch from ifort v9 to gcc 4.1.2, simplify setupenv |
gpawv8 | 11/16/10 | use goto2 blas and open64 to improve performance |
gpawv9 | 12/9/10 | copy of gpawv8, but HEAD of gpaw/ase to fix non-orthorhombic problem for strabo/pgmoses |
gpawv10 | 12/9/10 | copy of gpawv9, but put in numpy site.cfg to try to use acml for numpy |
gpawv11 | 1/10/11 | copy of gpawv9, a special version for hildur to use |
gpawv12 | 6/27/11 | copy of gpawv9, a special version for jewe to use (preliminary BEEF version) |
gpawv13 | 7/8/11 | softlink to gpawv9, change setupenv to use torque/maui aware openmpi |
gpawv14 | 8/10/11 | copy of gpawv9, update to HEAD of gpaw svn, and HEAD of ase svn (for wulff construction) requested by Lin |
gpawv15 | 10/5/11 | test version built with icc/mkl |
gpawv16 | 10/12/11 | version like gpawv14, but with python2.7 so we can include hdf5 support for Lin. Only serial version functional with /opt/TWWfsw/python27/bin/python |
gpawv17 | 11/16/11 | copy gpaw/ase from v9, but use icc/ifort/mkl to improve performance |
gpawv18 | 1/3/12 | copy gpaw/ase from v17, but mkl 10.3 to fix LD_PRELOAD hack |
gpawv19 | 1/20/12 | like gpawv17, but GPAW from head of SVN to get first BEEF release, also most recent setups, and more recent ASE |
gpawv20 | 1/21/12 | mkl 10.3 with scalapack, gpaw from head of SVN, newer ASE, new setups. serial version broken because removed static linking? |
gpawv21 | 2/1/12 | uses v17 executables, but adds head of ASE and version 0.3.2 of CMR to PYTHONPATH (requested by AJ) |
gpawv22 | 2/6/12 | like v19 but uses GPAW/ASE from head of SVN to pickup BEEF error estimation. also enables scalapack, CMR |
gpawv23 | 3/26/12 | like v22 but uses GPAW v0.9, required ASE 3.6.0, required CMR 0.3.3.580 |
gpawv24 | 4/27/12 | like v23 but uses head of GPAW and new ASE to pick up fix for vdW parallel NEB |
| 6/22/12 | NOTE THAT GPAW VERSIONS OLDER THAN 25 WILL NO LONGER WORK BECAUSE OF PYTHON-LIBS SECURITY PATCH PROBLEM |
gpawv25 | 6/20/12 | copy of v22 but rebuilt to fix python-libs patch problem |
gpawv26 | 6/20/12 | copy of v17 but rebuilt to fix python-libs patch problem |
gpawv26a | 11/16/12 | (suncat3 farm only) copy of v26 ("old/stable") gpaw, but some tests fail still |
gpawv27 | 6/20/12 | copy of v24 but rebuilt to fix python-libs patch problem |
gpawv27a | 11/16/12 | v27 rebuilt for suncat3 farm (softlink to v35) |
gpawv28 | 6/22/12 | copy of v24 but try python2.7 with updated numpy/scipy/matplotlib. gtk graphics broken |
gpawv29 | 7/10/12 | copy of v16 but rebuilt gpaw because of the python-libs problem. only serial version functional with /opt/TWWfsw/python27/bin/python |
gpawv30 | 7/23/12 | head of GPAW svn to get FixedOccupations class in occupations.py for Joel. But turned out v27 already had that. Also newer ASE. DISABLED this because wasn't optimally built. |
gpawv31 | 10/12/12 | same as V30, but with latest official setups. DISABLED this because need to update to latest GPAW for latest setups. |
gpawv32 | 11/7/12 | head of GPAW svn but with latest official setups |
gpawv32a | 11/14/12 | v32 rebuilt for suncat3 farm (softlink to v33) |
gpawv33 | 11/14/12 | (suncat3 farm only) like v32, but rebuilt for Sandy Bridge and RHEL6 |
gpawv34 | 11/14/12 | (suncat3 farm only) like v33, but uses older setups DISABLED because saw strange results |
gpawv35 | 11/16/12 | (suncat3 farm only) copy of v27 gpaw, so we can use older setups |
gpawv36b | 11/16/12 | (gpu farm only) checkout of Jun's branch rpa-gpu-expt built for the new gpu farm. old setups. |
gpawv37b | 1/28/13 | (gpu farm only) checkout of Samuli's cuda branch built for the new gpu farm. old setups. |
gpawv38 | 2/1/13 | build of libxc 2.0.0 branch for doylead/alevoj so they can use HSE. |
gpawv39 | 2/25/13 | copy of v27 with newer ASE 3.6.1.2981 |
gpawv40 | 3/24/13 | latest gpaw from trunk to fix get_all_electron_density problem. new setups. two tests fail running with -j 8, but work running tests without -j 8 |
gpawv41 | 3/24/13 | like v40, but old setups. |
gpawv42 | 4/18/13 | copy of v29 environment to pick up hdf5 for Lin. parallel version broken. latest gpaw from trunk to fix get_all_electron_density problem. old setups (so self-tests don't work). still need to use /opt/TWWfsw/python27/bin/python, I believe |
gpawv43 | 6/28/13 | first version built with new libxc |