HECToR

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

Software Versions

• System Module Versions (and history)
• Third-Party Software Module Versions (and history)
• Module Removals
• Proposed Modules on the Phase 3 System

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.

• Introduction to software on HECToR

System Module Versions (and history)

Tools and Libraries

• From 2 November 2011 the 'xt-mpich2' module replaces the 'xt-mpt' module as the default parallel programming library.
• From 7 September 2011 the 'xtpe-mc12' module is loaded by default for all users.

Phase 2b (XE6)

Module Name	Default: 16 March 2011	Default: 3 August 2011	Default: 5 October 2011	Default: Current
xt-asyncpe	4.5	4.7	4.9	5.00
xt-mpt	5.1.2	5.1.4	5.3.0	5.3.1
xt-mpich2	5.1.2	5.1.4	5.3.0	5.3.1
xt-shmem	5.1.2	5.1.4	5.3.0	5.3.1
xt-libsci	10.4.9	10.5.0	10.5.02	11.0.00
acml	4.4.0	4.4.0	4.4.0	4.4.0
fftw	3.2.2.1	3.2.2.1	3.2.2.1	3.2.2.1
hdf5	1.8.5.0	1.8.5.0	1.8.5.0	1.8.5.0
netcdf	4.1.1.0	4.1.1.0	4.1.1.0	4.1.1.0
netcdf-hdf5parallel	4.1.1.0	4.1.1.0	4.1.1.0	4.1.1.0
petsc	3.1.04	3.1.04	3.1.05	3.1.08
xt-totalview	8.7.0	8.9.0	8.9.1	8.9.1
ga	4.3.2	4.3.2	4.3.3	4.3.5
ntk	1.0.0	1.0.0	1.1.0	1.3.0
onesided	1.0.0	1.0.0	1.1.0	1.3.0
perftools	5.1.2	5.1.3	5.2.0	5.2.2
xt-craypat	5.1.2	5.1.3	5.1.3	5.1.3
apprentice2	5.1.2	5.1.3	5.1.3	5.1.3
papi		4.1.2	4.1.2	4.1.3
atp	1.0.3	1.1.0	1.1.0	1.2.1
stat	1.1.1	1.1.2	1.1.3	1.1.3
dwarf	9.9.0	9.9.0	9.9.0	9.9.0
elf	0.8.12	0.8.12	0.8.12	0.8.12
libfast	1.0.8	1.0.8	1.0.8	1.0.9
mrnet	3.0.0	3.0.0	3.0.0	3.0.0
trilinos	10.6.0	10.6.2.0	10.6.2.0	10.6.2.0

Compilers

Phase 2b (XE6)

Module Name	Default: 15 March 2011	Default: 3 August 2011	Default: 5 October 2011	Default: Current
java	jdk1.6.0_20	jdk1.6.0_20	jdk1.6.0_24	jdk1.6.0_24
pgi	10.9.0	10.9.0	11.3.0	11.6.0
pathscale	3.2.99	3.2.99	3.2.99	4.0.9
gcc	4.5.1	4.5.2	4.5.3	4.6.0
cce	7.2.8	7.3.1	7.4.0	7.4.1
chapel	1.2.0	1.2.1	1.3.0	1.3.0

Third-Party Software Module Versions (and history)

Phase 2b (XE6)

Module Name	Default: 19 July 2011	Default: 7 September 2011	Default: Current
amber	10	11	11
casino	2.6	2.6	2.6
castep	5.5	5.5	5.5.2
centori	December2010	December2010	December 2010
cp2k	2.2.137	2.2.137	2.2.137
cpmd	3.13.2	3.13.2	3.12.2
dalton	2.0	2.0	2.0
dlpoly	4.01	4.01	4.01
ebl	4.0	4.0	4.0
gamess-us	01102010	01102010	01102010
gs2	4.0.7	r1480_pgi10	r1480_pgi10
h2mol	june10	june10	june10
helium	june10	june10	june10
lammps	lammps-19Nov10	lammps-19Nov10	lammps-19Nov10
namd	2.7	2.7	2.7
nemo	2.3	2.3	2.3
nwchem	6.0	6.0	6.0
parafem	r40	r40	r40
pdns3d	june10	june10	june10
prmat	june10	june10	june10
R	2.12.0	2.12.0	2.12.0
siesta	2.0.2	2.0.2	2.0.2
vasp	4.6	4.6	4.6
vasp5	5.2.2	5.2.11	5.2.12

Module deletions

Date	Modules Deleted
7 September 2011	gs2/4.0.7
19 October 2011	cce/(7.2.1.105, 7.2.2, 7.2.3, 7.2.4, 7.2.5, 7.2.7, 7.3.0, 7.3.0.145, 7.3.3, 7.3.4); chapel/(1.1, 1.1.1, 1.1.2); pgi/(10.4.0, 10.5.0, 10.6.0, 11.0.0, 11.2.0, 11.4.0, 11.5.0); xt-asyncpe/(3.7.24, 3.8, 3.9, 4.0, 4.1, 4.3, 4.4, 4.6); xt-libsci/(10.4.1, 10.4.3, 10.4.5, 10.4.6, 10.4.8, 10.5.01)
2 November 2011	stat/(1.0.0, 1.1.0, 1.1.1, 1.1.2); pgi/(10.9.0, 11.3.0); perftools/(5.1.0, 5.1.2, 5.1.3, 5.2.0); perftools-clients/(5.2.0); gcc/(4.1.2, 4.2.4, 4.3.3, 4.4.2, 4.4.3, 4.5.1, 4.5.2); pathscale/3.2.99
11 November 2011	gdb/7.2