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Page updated on
Feb 17 2007
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Laboratory for Molecular Simulation
Director: Michael B. Hall Manager: Lisa M. Pérez
Phone: (979) 845-9384Fax (979) 845-2971Rm. 2109 Chemistry
e-mail: mouse@mail.chem.tamu.edu

Patches Applied to Programs Offered Through the LMS
Patches are used to fix programming bugs that are found in software programs after distribution

AMBER Cerius2 insight quanta Discovery Studio Materials Studio MOLPRO
AMBER

Date that the Patch was applied - Machine running the code - Patch names applied 02/02/2007 - cosmos - bugfix.1 through bugfix.31
Cerius2

Cerius2 4.6 - 4.11 patches

Currently, there are no patches for Cerius2 4.6 - 4.11

Cerius24.5 patches

Ludi2k3

Cerius2 4.2 patches

Currently, there are no patches for Cerius2

InsightII

DNA RTF files for the CHARMM 22 and 27 forcefields (Installed on 08/24/00)
Corrected molGeom.tcl file for Discover 3 (08/24/00)
Profiles3D Errors (08/24/00)

Insight II 98.0 patches

InsightII 98 Patch 2 (06/08/00)
InsightII 98 CHARMm Typing Rules (Dec 22, 1999) (Installed on 06/08/00)
Ludi 98.1 Patch (06/08/00)
NMR Refine Patch (06/08/00)
Dials Patch (06/08/00)

Quanta
Quanta 98.1 patches

Quanta 98.1 Patch (q981.tar.Z) (06/08/00)

For more information about the Accelrys Software patches, please visit: Accelrys Software Patches

Molpro 2002.6
All availabe patches for Molpro 2002.6 have been installed as of 11/11/05

For information on each patch please visit the directory /chem/Molpro/molpro2006.6/patch on chmsgi or /usr/local/lms/molpro2006.6/patch on all other machines.
cd into the directory for the patch of interest and read the README file.

Patches installed: (most of these patches do not apply to the sgi/irix machine, but have been installed anyway.

absoft_opt1
absoft_quad
acml
altix_reshape
amd64_ifc_i8_blas4a
ampr
blas_mkl_ia32
bug594
cardiff_doc
cardiff_driver
cidps_orthp
ciexit
cioccsym
citation
compress
config_pathscale
configure_xeon
coreocc
corlsi
darwin_conf
defbas_update
dft_orbital_hi
displace4
doc_module1
doc_module2
dplace
enest_dummy
erel_variables
fcibig
fix956b
fix_kraft1
fujitsu-ssl2
fujitsu_conf
ga_conflict2
hpux1131
ia64_efc81
ia64_static
ia64root_check
ifc_bug
intel9b
lapack_init
lapi_configure
largefiles
lsint
lvec
merge_orbdom
mkl60
mkl61
mkl721cluster
modelopt
molden_orbital_normalization
mpp_string
mpputil
mxm_fujitsu
mxmsu
natorb
nec_parse
opteron2
opteron6
opteron_conf
opteron_parse2
orbdom_format
parse_i686_i4_compat
parse_ia64
parse_x86_64_i4
patcher_printf
pathf90
pbs_nodelist
pname_intsize
posinp
project_dav
prop_qm
pseudo_libmol2
readop_multipole_nps
riblcc_inout
rpm_key
scfocc
scfocc2
sse2
sun_forte8
sx_updates
tran3_core_restart
uncompress
updui_trap_overflow
void_dlnu
wrapper_makefile
xlf9a
xlf_ndi2


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