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
Merge branch release-5-0 into release-5-1
2016-02-08
Mark Ab
r
aham
Merge branch release-5-0 into r
e
lease-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark A
b
raham
Bu
m
ped
patch num
b
e
r
to
p
repare for future 5
.
1
.
3 release
commit
|
commitdiff
|
tree
2016-02-03
Ma
r
k Abraham
Version 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
braham
Fix
g
r
ompp not warni
n
g when
.
mdp
v
a
lues have
w
ro
n
g
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
braha
m
Merge release
-
5
-
0
into
r
e
lease-5-
1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abra
h
am
Fix dEkin/dl
h
a
n
dli
n
g w
i
th m
u
ltiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abra
h
a
m
Add OpenCL
sou
r
c
e
file
t
ypes to cop
y
r
i
ght checker
commit
|
commitdiff
|
tree
2016-01-27
Mar
k
Abraham
Add suggestions for up
d
ating binutils
commit
|
commitdiff
|
tree
2016-01-26
Mark
Abraham
F
ix default for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-24
M
a
rk Abraham
Fix d
u
plicat
e
LaTeX eq
u
ation label
commit
|
commitdiff
|
tree
2016-01-24
Ma
r
k A
b
raham
Up
d
ate refe
r
ences
t
o HTML and online docu
m
entation
commit
|
commitdiff
|
tree
2016-01-13
Mark
A
braham
Al
l
o
w
ed NVML support
to be
t
oggled
commit
|
commitdiff
|
tree
2016-01-12
Mark Ab
r
aham
M
e
rge b
r
anch re
l
ease-5-
0
into release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark Abrah
a
m
Avoi
d
more C+
+
b
i
ndings for
M
PI
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Document ho
w
pote
n
tial-s
w
i
tc
h
wo
r
ks
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
r
a
ham
Stop u
s
i
ng UNDEFINED as name o
f
a
sy
m
bol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraha
m
Backport
m
d
-vv fixes
commit
|
commitdiff
|
tree
2015-12-27
Mark
A
brah
a
m
Fix some OpenCL issues
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraha
m
Req
u
ire Nose-H
o
over
w
i
t
h MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mar
k
Ab
r
aham
Sto
p
globa
l
communic
a
tion depending on in
t
egrator
commit
|
commitdiff
|
tree
2015-12-08
M
ark Abraham
Merge branch 'release-5-0' into release
-
5
-
1
commit
|
commitdiff
|
tree
2015-12-08
Ma
r
k Abraham
Fix Trotter integratio
n
commit
|
commitdiff
|
tree
2015-11-24
Mar
k
Ab
r
aham
Fix error in mu
l
ti-sim commun
i
c
atio
n
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
F
ix walltime me
a
surement
w
ith bgcla
n
g
commit
|
commitdiff
|
tree
2015-11-11
Ma
r
k Abraham
Merge
r
elease-5
-
0 into
r
ele
a
s
e-5
-
1
commit
|
commitdiff
|
tree
2015-11-10
Mark Ab
r
aham
Bump patch versi
o
n to pre
p
a
r
e for
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark Abra
h
am
V
e
rsion 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark Abrah
a
m
Suppress warnings
w
h
en we have OpenC
L
2
.
0 s
u
pport
commit
|
commitdiff
|
tree
2015-10-19
Ma
r
k Abraham
F
i
x cycle
sub
c
o
unters
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Merge release-5-0 into
release
-
5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark
Abraham
Version bum
p
s
a
fte
r
release
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Ver
s
ion 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
M
a
rk Abraham
Merge branch r
e
lease-4-6
into rel
e
a
se-5-0
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Fi
x
ed FFTW d
e
tection status me
s
sa
g
e l
o
cation
commit
|
commitdiff
|
tree
2015-10-05
M
a
r
k Abr
a
ham
Merg
e
release
-
5-0 into release
-
5-1
commit
|
commitdiff
|
tree
2015-10-03
Mark
A
braha
m
F
i
x
FindFFTW
b
e
h
avio
u
r
commit
|
commitdiff
|
tree
2015-10-03
Mark
A
b
raham
Fix
m
dru
n
-nb auto -r
e
r
u
n with GPU
and en
e
r
g
y
groups
commit
|
commitdiff
|
tree
2015-09-26
Mark A
b
raham
Fix reacti
o
n
-
field warning message
commit
|
commitdiff
|
tree
2015-09-06
Mark Abraham
Add GROMAC
S
5 pape
r
t
o
p
a
p
er l
i
s
t
s
commit
|
commitdiff
|
tree
2015-08-19
Mark A
b
ra
h
am
Harden FindSp
h
inx
.
cmake
commit
|
commitdiff
|
tree
2015-08-14
Ma
r
k Abr
a
h
am
Bump patch ve
r
sion to prepare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
M
a
r
k Abra
h
am
Ver
s
i
on 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mark
A
b
r
a
h
am
Make i
t
easier to find sele
c
tion help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Ma
k
e it
e
asier to find selection
hel
p
commit
|
commitdiff
|
tree
2015-08-13
Mark Ab
r
aham
Re-enable
multi-GPU support in
OpenC
L
fo
r
thread MPI
commit
|
commitdiff
|
tree
2015-08-13
M
ark
Abraham
Docume
n
ta
t
ion
f
i
x
e
s
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Avoi
d
FP exce
p
tion with empty
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
M
ark A
b
rah
a
m
Ad
d
docu
m
ent
a
tion
fo
r
ene
r
gy
g
rps with GPU
s
commit
|
commitdiff
|
tree
2015-08-12
M
ark Abr
a
h
a
m
Add to aut
h
or lists
commit
|
commitdiff
|
tree
2015-08-11
M
ark Abraham
Abort if PME tuning is
a
c
tive and
counters reset
commit
|
commitdiff
|
tree
2015-08-10
Mark Abraham
Re
q
u
ir
e
tune_pme t
o
ta
k
e -mdrun parame
t
er
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Merge bra
n
ch releas
e
-5-0 into release-
5
-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Fix docs of
ftyp
e
s of dih
e
drals
commit
|
commitdiff
|
tree
2015-08-06
Mark
Abraham
Fix F
i
ndNVML
.
cm
a
k
e
commit
|
commitdiff
|
tree
2015-08-06
Mark
A
braham
Fix thread-affinity c
h
ecking
commit
|
commitdiff
|
tree
2015-08-05
M
a
r
k
Abraham
F
ix em
d
ash in n
e
w
reference
commit
|
commitdiff
|
tree
2015-08-04
Mark
A
brah
a
m
Merg
e
r
e
l
ease-5-0 into
r
elea
s
e-
5
-1
commit
|
commitdiff
|
tree
2015-08-03
M
ark A
b
r
aham
F
i
x use of wrongly-named
GCC minor
-
version variable
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix possible l
i
nking of li
b
xml2 to zli
b
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Mer
g
e br
a
nch
release-5-0 into relea
s
e-5-1
commit
|
commitdiff
|
tree
2015-07-26
Mar
k
Abraham
Stop mdrun p
r
int
i
ng potentially undefin
e
d valu
e
commit
|
commitdiff
|
tree
2015-07-26
Mark Ab
r
aham
Version b
u
mps after new release
commit
|
commitdiff
|
tree
2015-07-24
Mark Abra
h
am
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Ma
r
k Ab
r
aham
Update advic
e
a
bout gr
o
mpp -t
commit
|
commitdiff
|
tree
2015-07-08
Mark Abraham
Give
b
T
y
pePe
r
turbed a valid initial value
commit
|
commitdiff
|
tree
2015-07-08
Mark Abraham
Fix grompp
.
edr IO estimate for free-ene
r
gy ca
l
cs
commit
|
commitdiff
|
tree
2015-07-06
M
a
rk
Abraham
Fir
s
t 5
.
1 relea
s
e candidate
commit
|
commitdiff
|
tree
2015-07-03
Mark Abraham
F
i
x Thr
e
adMPI
GPU assumpt
i
ons
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
Do
c
um
e
nt how
t
o add
and us
e
NVML support
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
Avo
i
d GPU d
a
t
a
race also
w
ith OpenCL
commit
|
commitdiff
|
tree
2015-06-30
M
ark Abraha
m
Add
s
u
p
p
ort
f
or flus
h
ing WDDM que
u
e
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge "Merge branch r
e
l
ea
s
e
-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraha
m
Mer
g
e branch release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
raham
Documented build types in developer g
u
ide
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merg
e
release-4-6 into
r
elease-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
raha
m
Add MSAN build type
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Fi
x
a
l
l
use of nbnxn
_
simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Mark Abr
a
h
a
m
Merg
e
release-5-0 into master
commit
|
commitdiff
|
tree
2015-06-26
M
a
rk Abraham
M
e
rg
e
rele
a
se-4-6 into r
e
lea
s
e-5-0
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraha
m
Fix mdrun
-confout somet
i
m
es aff
e
c
t
ing fina
l
.
edr fra
m
e
commit
|
commitdiff
|
tree
2015-06-25
M
ark
A
brah
a
m
Merg
e
"M
e
rge
r
elease
-
5-0 into
m
aster"
commit
|
commitdiff
|
tree
2015-06-25
Ma
r
k
A
braham
M
erge release-
5
-0 into master
commit
|
commitdiff
|
tree
2015-06-24
Mark A
b
raham
Merge release-4-6 into r
e
l
ea
s
e
-
5-0
commit
|
commitdiff
|
tree
2015-06-18
Mark
Abraham
Fix typo i
n
GMX_BUILD_
O
WN_FFTW message
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Stop peo
p
l
e installing
i
nt
o
th
e
build tree
commit
|
commitdiff
|
tree
2015-06-16
M
ark Abr
a
ham
M
ove code for managing mdrun -cpi and -append
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Fix pa
i
r
s_nb not recogniz
e
d as part of molecul
e
type
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Ad
d
unit tes
t
s for Array
R
e
f
commit
|
commitdiff
|
tree
2015-06-12
M
a
rk A
b
rah
a
m
Fix comma
n
dline test data
commit
|
commitdiff
|
tree
2015-06-11
Mark
A
brah
a
m
Me
r
ge "Merge
b
ranch rele
a
s
e-4-6
into release-5-0" into
.
.
.
commit
|
commitdiff
|
tree
2015-06-11
Mark Ab
r
aham
Han
d
le timing better in Je
n
k
i
ns
commit
|
commitdiff
|
tree
2015-06-11
Mark Abraham
Clean up
v
site interaction clea
n
-up code
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Document
l
imitat
i
ons of trjco
n
v -dump
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Merge branch release-4-6 into releas
e
-5-0
commit
|
commitdiff
|
tree
2015-06-05
M
ar
k
A
b
raham
Remove gmx_simd_check_and_reset
_
overflow
commit
|
commitdiff
|
tree
2015-06-04
Ma
r
k Abraham
Fix nami
n
g
f
r
om "G
r
omac
s
" to "
G
R
OMACS"
commit
|
commitdiff
|
tree
2015-05-27
Mark A
b
raham
Fix
warnings from GCC 5
commit
|
commitdiff
|
tree
2015-05-26
Mar
k
Abraham
Avoid p
o
ssible
f
loating-point exception
commit
|
commitdiff
|
tree
2015-05-26
Mark Abrah
a
m
Conve
r
t ew
a
l
d module to C
+
+
commit
|
commitdiff
|
tree
2015-05-26
Mar
k
Abraham
Fix
u
se of hard
-
coded temp
o
rary fil
e
name
commit
|
commitdiff
|
tree
next