repo.or.cz
/
gromacs
/
AngularHB.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Version 5.1.4
2016-09-07
Mark Abra
h
am
V
e
rsion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
Abraham
Removed HIS1 f
r
o
m op
l
saa and ch
a
rmm defin
i
tions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abrah
a
m
Fix
LYN
c
h
arg
e
s
in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix amber03
HIP c
h
arge
s
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraha
m
W
ork around glibc 2
.
23 with CU
D
A
commit
|
commitdiff
|
tree
2016-07-21
Mark A
b
raham
B
u
mped patch number to
pre
p
are
f
or future
5
.
1
.
4 re
l
ease
commit
|
commitdiff
|
tree
2016-07-13
Ma
r
k
A
b
r
aham
Versi
o
n
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-06-23
Mark Abra
h
a
m
Prevent use of mdrun -maxh
-
multi
commit
|
commitdiff
|
tree
2016-06-17
M
a
rk
A
braham
Fix multi-sim
+
D
D
+ simple distance res
t
raints
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k Abraham
Ma
k
e more CMake
variables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Ab
r
aham
Ig
n
o
re stderr when detect
i
ng
S
IMD
and bu
i
ld inf
o
commit
|
commitdiff
|
tree
2016-05-27
Mark Ab
r
aham
Fix reading of b
o
n
d
e
d tables
commit
|
commitdiff
|
tree
2016-05-10
M
a
r
k
Abraham
Minor update to sphinx depend
e
ncy
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fix constants,
u
nits and c
o
nvers
i
on f
a
ctors
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix mdp
label genera
t
ion
commit
|
commitdiff
|
tree
2016-03-18
M
ar
k
Abrah
a
m
Warn about Op
e
nM
P
I 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark
A
bra
h
am
Fix
t
y
po in Fo
u
rier dih
e
dral e
q
uati
o
n
commit
|
commitdiff
|
tree
2016-03-15
Mar
k
Abraham
Merge branch
r
eleas
e
-5-
0
into
r
el
e
ase-5-1
commit
|
commitdiff
|
tree
2016-03-11
Ma
r
k A
b
r
a
ham
Merge branc
h
release-
5
-0
i
n
to
release-5-
1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraham
Mak
e
bot
h
ftp an
d
http li
n
ks for source down
l
oad
commit
|
commitdiff
|
tree
2016-02-18
M
ark Abrah
a
m
Updated refer
e
n
ce manual te
x
t about PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark Abraham
Merge
b
ranch release-5-0 into r
e
lease-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mar
k
Abraham
R
e
-gen
e
r
at
e
d
eps for f
i
g
ure
4
.
8
commit
|
commitdiff
|
tree
2016-02-08
Ma
r
k
Abrah
a
m
Merge branch release-5-0 into rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-02-03
M
ark Abra
h
am
Bumped pat
c
h numb
e
r
to prepare for
f
uture 5
.
1
.
3 re
l
e
a
se
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk
Abraham
Versio
n
5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix grompp not warni
n
g when
.
md
p
values have wro
n
g
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Merge re
l
ease-5-0 in
t
o
r
e
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix
d
Ek
i
n/dl handling
w
ith mu
l
tiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
A
d
d
OpenC
L
source file typ
e
s to copyri
g
ht checker
commit
|
commitdiff
|
tree
2016-01-27
Mar
k
A
braham
Add suggestions
for updating bi
n
utils
commit
|
commitdiff
|
tree
2016-01-26
Ma
r
k Abrah
a
m
Fix default
for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-24
Mark Abra
h
a
m
Fix
duplicate LaTeX
e
quation label
commit
|
commitdiff
|
tree
2016-01-24
Mar
k
Abr
a
ham
Update refere
n
ces to HTM
L
and online docum
e
n
t
a
tion
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraha
m
Allowed NVML support to be
tog
g
led
commit
|
commitdiff
|
tree
2016-01-12
Ma
r
k Abraham
Merge
branch re
l
eas
e
-
5-0 in
t
o
release-5-
1
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abrah
a
m
Avoid more C++
b
i
n
d
i
n
gs for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abr
a
h
am
D
ocument how potential-switch works
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
b
ra
h
am
Stop using UNDEFI
N
ED
as
n
ame of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Backport
md-vv f
i
xes
commit
|
commitdiff
|
tree
2015-12-27
Mark
Abraham
Fi
x
som
e
O
p
enCL
i
ssues
commit
|
commitdiff
|
tree
2015-12-12
M
ark Abraham
Require N
o
se-Hoov
e
r with MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mark A
b
raha
m
St
o
p global communicatio
n
depending on
i
ntegrator
commit
|
commitdiff
|
tree
2015-12-08
Ma
r
k Abr
a
ham
Merge branch
'
r
e
lease-5-0' into re
l
ease-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abrah
a
m
Fi
x
Trotter integration
commit
|
commitdiff
|
tree
2015-11-24
M
ark Abra
h
am
Fix
e
rror in
multi-
s
im
c
o
m
munication
commit
|
commitdiff
|
tree
2015-11-14
M
a
rk Abraham
Fix wa
l
ltime measurement wit
h
bg
c
lang
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge rel
e
ase-5-0 into release-5
-
1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bump
p
atch version to
p
repar
e
for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
M
ark Abraham
Versio
n
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark A
b
ra
h
am
S
uppress war
n
ings when we have Op
e
nCL 2
.
0 support
commit
|
commitdiff
|
tree
2015-10-19
Mark Abra
h
am
Fix cycle subcounters
commit
|
commitdiff
|
tree
2015-10-14
Mar
k
Abrah
a
m
M
e
rge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mar
k
Abraha
m
V
e
r
sion bu
m
ps after release
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk
Ab
r
aham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark
A
braha
m
Merg
e
br
a
nch releas
e
-4-6 int
o
r
ele
a
se-5-0
commit
|
commitdiff
|
tree
2015-10-07
Ma
r
k Abraham
Fixed FFTW
de
t
ection
status me
s
sage loc
a
t
ion
commit
|
commitdiff
|
tree
2015-10-05
Mark Abraham
Merg
e
release-5-
0
into release-5-1
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix FindFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Ma
r
k Abr
a
h
am
Fix mdrun -nb auto -rerun
w
ith GPU and energ
y
groups
commit
|
commitdiff
|
tree
2015-09-26
Mark
A
braham
F
i
x reaction-field warnin
g
messag
e
commit
|
commitdiff
|
tree
2015-09-06
Mark
Abra
h
am
A
dd GROMACS
5
paper to paper lists
commit
|
commitdiff
|
tree
2015-08-19
Mark Ab
r
aham
Harde
n
FindSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-14
Mark
A
b
ra
h
am
Bump patch version to prepar
e
for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Version 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mark
A
b
raham
Make
it easier to find selec
t
ion
help
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abr
a
ham
Make it e
a
sier to
f
ind
s
e
l
ect
i
o
n help
commit
|
commitdiff
|
tree
2015-08-13
M
ark Ab
r
aha
m
Re
-
enable multi-GPU support in OpenCL fo
r
th
r
e
a
d
M
PI
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abra
h
am
Documentation fixes
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
ham
Av
o
id FP excep
t
ion with emp
t
y
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
Mark Ab
r
aha
m
Ad
d
documen
t
ation
for energygr
p
s
wit
h
GPUs
commit
|
commitdiff
|
tree
2015-08-12
Ma
r
k Abr
a
ham
A
d
d t
o
a
u
t
h
or lists
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraham
A
bort
if PM
E
tuning
i
s active and
c
ount
e
rs
re
s
e
t
commit
|
commitdiff
|
tree
2015-08-10
M
a
rk Abraham
Require tune_pme to take -mdrun
p
arameter
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Mer
g
e br
a
nch release-5-0 into
r
e
le
a
se
-
5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
F
i
x
docs
o
f ftypes of d
i
hedrals
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
Fi
x
FindNVM
L
.
c
m
ake
commit
|
commitdiff
|
tree
2015-08-06
Mark Abr
a
ha
m
F
i
x
t
h
r
ead-affin
i
ty checking
commit
|
commitdiff
|
tree
2015-08-05
Mark Abraham
Fix em
dash
i
n new reference
commit
|
commitdiff
|
tree
2015-08-04
Mark Abraham
Merge re
l
ease-5-0 in
t
o release-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix use
o
f wrongly-named GCC minor-versio
n
variable
commit
|
commitdiff
|
tree
2015-08-03
M
a
rk Abrah
a
m
Fix poss
i
ble l
i
nking of l
i
b
xm
l
2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abrah
a
m
Mer
g
e branch release-5-0 into re
l
ease-5-1
commit
|
commitdiff
|
tree
2015-07-26
Mark Abr
a
ham
S
top mdrun printing potentially undefin
e
d
v
alue
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Version bu
m
ps after
n
ew release
commit
|
commitdiff
|
tree
2015-07-24
M
a
rk Abraham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark Ab
r
aham
Update
advice
about g
r
ompp -t
commit
|
commitdiff
|
tree
2015-07-08
Mark Abra
h
am
Give bTypePerturbed
a
valid initial value
commit
|
commitdiff
|
tree
2015-07-08
Mark Abraham
Fix grompp
.
edr IO estimate f
o
r
f
re
e
-energy calc
s
commit
|
commitdiff
|
tree
2015-07-06
Mark Ab
r
aham
Fi
r
st 5
.
1
r
elease
c
andidate
commit
|
commitdiff
|
tree
2015-07-03
Mark Abraham
Fix ThreadMPI G
P
U assumptions
commit
|
commitdiff
|
tree
2015-06-30
Mar
k
Abraham
Docume
n
t how to
a
dd and use N
V
M
L
support
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraha
m
Avoid GPU data race also wi
t
h
OpenCL
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk A
b
raham
A
dd su
p
port f
o
r flus
h
ing WDDM que
u
e
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge "Merge branch
rel
e
ase
-
5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark
A
bra
h
am
Merg
e
bran
c
h r
e
l
e
a
se-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
raham
Documented build types in developer gu
i
de
commit
|
commitdiff
|
tree
2015-06-29
Mark
Abraham
Merge release-4-6 into rele
a
se-5
-
0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Add MSAN build
t
ype
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Fix a
l
l use of nbnxn_simd
.
h
commit
|
commitdiff
|
tree
next