repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Make both ftp and http links for source download
2016-02-19
Mark Abrah
a
m
M
a
k
e
both ftp and
h
ttp links f
o
r s
o
ur
c
e down
l
oad
commit
|
commitdiff
|
tree
2016-02-18
Mark
A
braham
Updated ref
e
rence manu
a
l
t
ext about PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark Abr
a
h
am
Merge branch rel
e
ase-5-0 i
n
to r
e
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mark Ab
r
aham
Re-
g
enerat
e
d eps fo
r
figur
e
4
.
8
commit
|
commitdiff
|
tree
2016-02-08
Mark Abra
h
am
Merge branch rele
a
s
e
-5-0 into release
-
5-
1
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
braham
Bumped
p
a
t
ch
number to p
r
epare for future
5
.
1
.
3 release
commit
|
commitdiff
|
tree
2016-02-03
Mar
k
A
b
rah
a
m
Version 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abrah
a
m
Fi
x
grom
p
p
not war
n
ing when
.
mdp values have
wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk
Abraham
Merge
r
elease-5-0 in
t
o rele
a
se-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mar
k
Abraham
Fix dEki
n
/dl ha
n
dling
w
ith multiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark
Ab
r
a
ham
Add Open
C
L source file
t
ype
s
to copyright
check
e
r
commit
|
commitdiff
|
tree
2016-01-27
Mark
Abraham
Add suggestions for updating bi
n
util
s
commit
|
commitdiff
|
tree
2016-01-26
Mark
A
braham
F
ix
default for GM
X
_USE_NV
M
L
commit
|
commitdiff
|
tree
2016-01-24
Mark
A
b
r
aham
F
i
x du
p
licate L
a
TeX
e
quation label
commit
|
commitdiff
|
tree
2016-01-24
Mark Abraham
Update references to HT
M
L an
d
o
nline documentation
commit
|
commitdiff
|
tree
2016-01-13
Ma
r
k Abraham
Allowed NVML support t
o
be tog
g
led
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
Merge bra
n
ch relea
s
e-5-0 into re
l
ea
s
e
-
5-1
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abraham
Avoid more C++
bindings for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Documen
t
ho
w
potential-s
w
itch works
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk A
b
ra
h
am
Stop using UNDEFINED
a
s name of a
s
y
mbo
l
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k Abr
a
ham
Back
p
ort md
-
vv fixes
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraham
F
ix som
e
Open
C
L issues
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraham
Require Nose-Hoover with
M
TTK
commit
|
commitdiff
|
tree
2015-12-11
Mar
k
Abra
h
am
Stop
global commu
n
i
c
ation de
p
ending on in
t
eg
r
at
o
r
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Merge branch 're
l
ease-5-0' into re
l
e
a
s
e-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraha
m
Fix Tro
t
ter integr
a
tion
commit
|
commitdiff
|
tree
2015-11-24
Mark Abraham
Fix error i
n
mu
l
t
i
-sim commun
i
cation
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Fix
wall
t
ime measuremen
t
with bgcla
n
g
commit
|
commitdiff
|
tree
2015-11-11
M
a
rk Ab
r
aham
Me
r
ge release-5
-
0
into r
e
lease
-
5-1
commit
|
commitdiff
|
tree
2015-11-10
Mar
k
Abraham
Bump patch version to prepare
for
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark Abrah
a
m
Ver
s
i
o
n
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mar
k
A
b
raham
Suppress warnin
g
s w
h
en
w
e have OpenCL 2
.
0 support
commit
|
commitdiff
|
tree
2015-10-19
M
a
rk Abra
h
am
Fix
c
ycle sub
c
ounters
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraha
m
Mer
g
e
release-5-0 in
t
o rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abra
h
am
Vers
i
o
n
bumps after release
commit
|
commitdiff
|
tree
2015-10-14
Mark
Ab
r
aham
Ve
r
sion 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
M
ark Abraham
Me
r
ge branch releas
e
-4-
6
in
t
o releas
e
-5-0
commit
|
commitdiff
|
tree
2015-10-07
M
ark Abraham
Fixed FFTW
d
ete
c
ti
o
n s
t
a
t
us message location
commit
|
commitdiff
|
tree
2015-10-05
Mark Abraham
Merge release-5-0 into re
l
ease
-
5
-1
commit
|
commitdiff
|
tree
2015-10-03
Ma
r
k
A
braham
Fix FindFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Mark Ab
r
a
h
am
F
i
x mdrun -
n
b
auto -rer
u
n with
GPU and energy grou
p
s
commit
|
commitdiff
|
tree
2015-09-26
M
ark
Ab
r
aham
Fix reaction-fie
l
d warning message
commit
|
commitdiff
|
tree
2015-09-06
Mark Abra
h
am
Add GROMA
C
S 5
pa
p
e
r to paper lists
commit
|
commitdiff
|
tree
2015-08-19
Mark Abraham
Harden FindSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-14
Mark Abr
a
h
am
Bump
p
atc
h
version to pre
p
a
re fo
r
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
V
e
r
s
ion 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mark
A
braham
Make it easier to find
s
el
e
cti
o
n help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abrah
a
m
Make it
e
asier
to fi
n
d sele
c
tion help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Re-e
n
able multi-GPU support in OpenCL for thread MPI
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abraham
Documentati
o
n fixes
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
ham
A
v
o
id F
P
exce
p
tio
n
w
ith empty
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
M
a
rk Abra
h
am
Add documentation for e
n
ergygrps with
GPUs
commit
|
commitdiff
|
tree
2015-08-12
Mark A
b
raham
Add to author lis
t
s
commit
|
commitdiff
|
tree
2015-08-11
Mar
k
Abraham
Abort if
P
ME
t
uning is active and counters reset
commit
|
commitdiff
|
tree
2015-08-10
Mark Abraham
Require
t
une_pme
t
o
take -mdru
n
pa
r
ameter
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Me
r
ge bra
n
ch release-5-0 into rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark A
b
r
a
ham
Fix
d
o
c
s of
f
types of
di
h
edrals
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
Fi
x
F
i
ndNVML
.
c
m
ake
commit
|
commitdiff
|
tree
2015-08-06
Mark Abra
h
a
m
F
i
x thread-affi
n
ity
c
hecking
commit
|
commitdiff
|
tree
2015-08-05
Ma
r
k Ab
r
aham
Fix em dash
i
n new reference
commit
|
commitdiff
|
tree
2015-08-04
Mark Ab
r
a
ham
Merge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix
u
se of wrongly-named GCC mino
r
-version v
a
riable
commit
|
commitdiff
|
tree
2015-08-03
Ma
r
k Abra
h
a
m
F
i
x possible lin
k
in
g
o
f
li
b
xml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Merge branch
release-5-
0
into release-
5
-1
commit
|
commitdiff
|
tree
2015-07-26
Mark
Abraham
Stop mdrun prin
t
ing potentially
undefined value
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Version bumps after new release
commit
|
commitdiff
|
tree
2015-07-24
Mark
A
b
raha
m
Version
5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark Abraha
m
Update
a
dvice
about gr
o
mpp -t
commit
|
commitdiff
|
tree
2015-07-08
M
a
rk Abraham
Give
bTypePe
r
tur
b
e
d
a valid
init
i
al value
commit
|
commitdiff
|
tree
2015-07-08
Mark Abraham
Fix
grompp
.
edr IO estimate for
free-energ
y
calcs
commit
|
commitdiff
|
tree
2015-07-06
M
ark Abraham
First 5
.
1 re
l
ease candidate
commit
|
commitdiff
|
tree
2015-07-03
Mark A
b
raham
Fix Thre
a
dM
P
I GPU
assumptions
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
Doc
u
ment how
t
o
a
d
d an
d
use NVML
sup
p
ort
commit
|
commitdiff
|
tree
2015-06-30
Mar
k
A
b
r
a
h
am
Avoid GPU
d
ata race also with Ope
n
CL
commit
|
commitdiff
|
tree
2015-06-30
Mark Abr
a
ham
A
d
d support for flus
h
in
g
WDDM queu
e
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k
A
b
raham
Merge "Merge bran
c
h release-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge branch rel
e
ase-5
-
0
commit
|
commitdiff
|
tree
2015-06-29
Mark
Abraham
Do
c
u
mented build
typ
e
s in developer guide
commit
|
commitdiff
|
tree
2015-06-29
M
a
r
k
Abraham
Merge
relea
s
e-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mar
k
Abr
a
ha
m
Add MSAN
b
uild type
commit
|
commitdiff
|
tree
2015-06-29
Mark Ab
r
aham
Fi
x
all
use of nbnxn_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Mar
k
Abraham
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2015-06-26
Ma
r
k
Abraham
Merge
re
l
e
ase-4-6 into
r
elease-5-0
commit
|
commitdiff
|
tree
2015-06-26
Ma
r
k Abraham
Fix md
r
un
-
confout someti
m
es affecting final
.
edr fra
m
e
commit
|
commitdiff
|
tree
2015-06-25
Ma
r
k Abraha
m
Me
r
ge "Me
r
ge release-
5
-
0 into
ma
s
ter"
commit
|
commitdiff
|
tree
2015-06-25
M
ark Abraham
Merge r
e
lease
-
5-0 into
m
aster
commit
|
commitdiff
|
tree
2015-06-24
Mar
k
Abr
a
ham
Me
r
g
e
rele
a
s
e
-4-6 into relea
s
e-5-
0
commit
|
commitdiff
|
tree
2015-06-18
M
a
rk
Abraham
Fix typo in GMX_BUILD_OWN_
F
FTW
m
e
ssage
commit
|
commitdiff
|
tree
2015-06-16
Mark Abra
h
am
Stop
p
eo
p
le i
n
s
t
allin
g
into
t
he bui
l
d
t
r
ee
commit
|
commitdiff
|
tree
2015-06-16
Mar
k
Abraha
m
Move code for managing mdrun -cpi and -append
commit
|
commitdiff
|
tree
2015-06-16
Mar
k
A
b
raham
F
ix pairs_nb not recogni
z
ed as par
t
o
f m
o
leculetyp
e
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Add unit
tests for A
r
rayRef
commit
|
commitdiff
|
tree
2015-06-12
M
a
rk Abrah
a
m
Fix commandlin
e
t
e
st data
commit
|
commitdiff
|
tree
2015-06-11
Mark Abraham
Merge "M
e
rge
branch release-4
-
6
i
nto
release-5
-
0" into
.
.
.
commit
|
commitdiff
|
tree
2015-06-11
Mar
k
Abraha
m
H
a
ndle tim
i
ng bett
e
r in Jenkins
commit
|
commitdiff
|
tree
2015-06-11
M
ark A
b
rah
a
m
Cle
a
n up
v
s
i
te intera
c
ti
o
n clean-up cod
e
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Document limita
t
io
n
s
of trj
c
o
nv -dump
commit
|
commitdiff
|
tree
2015-06-09
Mark
A
braham
Merge branch release
-
4-6 in
t
o releas
e
-5-
0
commit
|
commitdiff
|
tree
2015-06-05
Mark
Abrah
a
m
Rem
o
ve gmx_si
m
d_check_
a
nd_reset_overflo
w
commit
|
commitdiff
|
tree
2015-06-04
M
a
rk Abra
h
am
F
i
x nam
i
ng from "Gromacs"
t
o "GROMACS"
commit
|
commitdiff
|
tree
next