This page provides information on the versions of various software on the HECToR system.

Software Versions

For a brief introduction to the software available on the systems please see the software page in the "How can HECToR help me" section of the website. More detailed information on running and using centrally-installed, third-party scientific codes on HECToR can be found on the software pages of the HECToR website and on the HECToR User Wiki (use your HECToR SAFE details to log in).

Previous default versions of the software on the phase 3 system can be found at:

Modules with planned changes to default are marked with a *.

Scientific Libraries

Module Name Default: 16 May 2012 Default: 5 Dec 2012 Default: 20 May 2013 Planned: 17 July 2013
xt-libsci 11.0.06 12.0.00 12.0.00 12.0.02*
cray-libsci   12.0.00 12.0.00 12.0.02*
petsc 3.1.09 3.3.00 3.3.00 3.3.00
petsc-complex 3.1.09 3.3.00 3.3.00 3.3.00
cray-petsc   3.3.03 3.3.03 3.3.05*
cray-petsc-complex   3.3.03 3.3.03 3.3.05*
acml 5.1.0 5.2.0 5.2.0 5.3.0*
fftw 3.3.0.0 3.3.0.1 3.3.0.1 3.3.0.2*
trilinos 10.8.3.0 10.12.1.1 10.12.1.1 10.12.1.1
cray-trilinos   10.12.1.1 10.12.1.1 10.12.1.1
tpsl 1.2.00 1.3.00 1.3.00 1.3.00
cray-tpsl   1.3.01 1.3.01 1.3.03*
libfast 1.0.9 1.0.9 1.0.9 1.0.9
hdf5 1.8.7 1.8.8 1.8.8 1.8.8
hdf5-parallel 1.8.7 1.8.8 1.8.8 1.8.8
cray-hdf5   1.8.9 1.8.9 1.8.9
cray-hdf5-parallel   1.8.9 1.8.9 1.8.9
netcdf 4.1.3 4.2.0 4.2.0 4.2.0
netcdf-hdf5parallel 4.1.3 4.2.0 4.2.0 4.2.0
cray-netcdf   4.2.1.1 4.2.1.1 4.2.1.1
cray-netcdf-hdf5parallel   4.2.1.1 4.2.1.1 4.2.1.1
parallel-netcdf 1.2.0 1.3.1 1.3.1 1.3.1

Communication Libraries

Note: xt-mpich2 and xt-shmem were updated to version 5.6.1 on Wednesday 6 March due to a memory leak bug in xt-mpich2/5.6.0.

Module Name Default: 16 May 2012 Default: 5 Dec 2012 Default: 20 May 2013 Planned: 17 July 2013
xt-mpt        
xt-mpich2 5.4.5 5.6.0 5.6.1 5.6.5*
cray-mpich2   5.6.0 5.6.1 5.6.5*
xt-shmem 5.4.5 5.6.0 5.6.1 5.6.5*
cray-shmem   5.6.0 5.6.1 5.6.5*
ga 5.0.2 5.0.2 5.0.2 5.0.2
cray-ga   5.1.0 5.1.0 5.1.0
ntk 1.5.0 1.5.0 1.5.0 1.5.0
onesided 1.5.0 1.5.0 1.5.0 1.5.0
mrnet 3.0.0 3.0.0 3.0.0 3.0.0

Performance Analysis and Debugging

Module Name Default: 16 May 2012 Default: 5 Dec 2012 Default: 20 May 2013 Planned: 17 July 2013
xt-totalview 8.9.2 8.9.2 8.11.0 8.11.0
totalview     8.11.0 8.11.0
totalview-support 1.1.2 1.1.2 1.1.4 1.1.4
perftools 5.3.2 6.0.1 6.0.1 6.1.0*
perftools-lite       6.1.0*
xt-papi 4.3.0.1 5.0.1 5.0.1 5.1.0.2
papi 4.1.2 4.3.0 4.3.0 4.3.0
atp 1.4.3 1.6.0 1.6.0 1.6.2*
stat 1.2.1.1 1.2.1.3 1.2.1.3 2.0.0.0*
xt-lgdb 1.4 1.5 1.5 1.5
cray-lgdb     2.0.1 2.0.3*

Compilers

Module Name Default: 16 May 2012 Default: 5 Dec 2012 Default: 20 May 2013 Planned: 17 July 2013
java jdk1.7.003 jdk1.7.007 jdk1.7.007 jdk1.7.007
pgi 12.3.0 12.9.0 12.10.0 13.4.0*
gcc 4.6.3 4.7.2 4.7.2 4.7.2
cce 8.0.4 8.1.2 8.1.4 8.1.8*
chapel 1.4.0 1.6.0 1.6.0 1.7.0*

System modules

Module Name Default: 16 May 2012 Default: 5 Dec 2012 Default: 20 May 2013 Planned: 17 July 2013
xt-asyncpe 5.09 5.16 5.17 5.20*
pmi 3.0.1-1.0000.8917.33.1.gem 4.0.0-1.0000.9282.69.4.gem 4.0.0-1.0000.9282.69.4.gem 4.0.1-1.0000.9421.73.3.gem*

Third-Party Software Module Versions (and history)

Module NameDefault: 2 May 2012Default: 5 December 2012
amber1111
casino2.62.6
castep6.0.16.1.0
centoriOctober2011October2011
cp2k2.3.152.4.12364
cpmd3.13.23.13.2
dalton2.02.0
dlpoly4.024.03
ebl4.04.0
gamess-us0110201001102010
gromacs4.5.54.6.0
gs2r1480_interlagosr1480_interlagos
heliumhelium_cle4.0helium_cle4.0
lammpslammps-28Mar12lammps-28Mar12
namd2.92.9
nemo2.32.3
nwchem6.16.1.1
parafemr40r40
R2.14.02.14.0
siesta3.13.1
vasp4.64.6
vasp55.2.125.3.2

Module Removals

Removals planned for 17 July 2013:

xt-libsci:

  • xt-libsci/10.5.02
  • xt-libsci/11.1.01
  • xt-libsci/12.0.01

cray-libsci:

  • cray-libsci/12.0.01

petsc:

  • petsc/3.0.0.10
  • petsc/3.2.01

petsc-complex:

  • petsc-complex/3.0.0.10
  • petsc-complex/3.2.01

cray-petsc:

  • cray-petsc/3.3.04

cray-petsc-complex:

  • cray-petsc-complex/3.3.04

acml:

  • acml/4.4.0

trilinos:

  • trilinos/10.12.1.0

cray-trilinos:

  • cray-trilinos/10.12.1.0
  • cray-trilinos/11.0.3.0

cray-tpsl:

  • cray-tpsl/1.3.02

netcdf:

  • netcdf/3.6.2
  • netcdf/4.0.1.3
  • netcdf/4.1.1.0

netcdf-hdf5parallel:

  • netcdf-hdf5parallel/4.0.1.3
  • netcdf-hdf5parallel/4.1.1.0

xt-mpich2:

  • xt-mpich2/5.5.5
  • xt-mpich2/5.6.2
  • xt-mpich2/5.6.3
  • xt-mpich2/5.6.4

cray-mpich2:

  • cray-mpich2/5.5.5
  • cray-mpich2/5.6.2
  • cray-mpich2/5.6.3
  • cray-mpich2/5.6.4

xt-shmem:

  • xt-shmem/5.5.5
  • xt-shmem/5.6.2
  • xt-shmem/5.6.3
  • xt-shmem/5.6.4

cray-shmem:

  • cray-shmem/5.5.5
  • cray-shmem/5.6.2
  • cray-shmem/5.6.3
  • cray-shmem/5.6.4

totalview-support:

  • totalview-support/1.1.3

xt-papi:

  • xt-papi/4.1.2

papi:

  • papi/4.3.0.1
  • papi/5.0.1

atp:

  • atp/1.6.1

cray-lgdb:

  • cray-lgdb/2.0.2

pgi:

  • pgi/13.3.0

gcc:

  • gcc/4.5.3

cce:

  • cce/8.0.6
  • cce/8.1.5
  • cce/8.1.6
  • cce/8.1.7

xt-asyncpe:

  • xt-asyncpe/4.9
  • xt-asyncpe/5.18
  • xt-asyncpe/5.19
Module NameRemoved: 17 April 2013
xt-libsci11.1.00
11.1.01
petsc/cray-petsc3.2.*
petsc-complex/cray-petsc-complex3.2.*
trilinos/cray-trilinos10.8.3.1
tpsl/cray-tpsl1.0.01
1.2.01
netcdf/cray-netcdf4.0.1.3
4.1.1.0
netcdf-hdf5parallel/cray-netcdf-hdf5parallel4.0.1.3
4.1.1.0
xt-mpich2/xt-shmem5.5.*
cray-mpich2/cray-shmem5.5.*
mrnet2.2.0.1
xt-totalview8.7.0
8.9.0
8.9.1
8.10.0
totalview-support1.0.6
1.1.1
perftools6.0.0
papi5.0.0
xt-papi3.6.2.2
4.1.3
4.2.0
atp1.4.4
1.5.*
stat1.2.1.2
pgi12.4.0
12.5.0
12.6.0
12.8.0
gcc4.7.0
4.7.1
cce8.0.5
8.0.6
8.0.7
8.1.0
8.1.1
8.1.3
chapel1.5.0
xt-asyncpe5.10-5.15
pmi3.0.1-1.0000.9101.2.26.gem

Software versions on previous HECToR phases