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
Updates to documentation
2015-11-22
Mark Abr
a
h
a
m
F
ix generic gr
o
up-schem
e
kernel
table dereferencing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
Spl
i
t
wallcycle
i
nt
e
rface
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
R
emove ewcWAIT
_
GPU_NB_L_ES
T
commit
|
commitdiff
|
tree
2015-11-19
Ma
r
k Abraha
m
S
i
m
p
l
ified init and mdrun code
commit
|
commitdiff
|
tree
2015-11-16
Mark A
b
raham
Fix
u
s
e of #if vs #i
f
def
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
ah
a
m
Remove t_adress
commit
|
commitdiff
|
tree
2015-11-16
Mark Abr
a
ham
Fix
AlignedAllocato
r
with
M
SVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
bra
h
am
Removed
s
tate_
g
lobal from mdr
u
n energy-s
u
m
m
a
t
ion
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
braha
m
Remove "supp
o
rt" for twi
n
-ran
g
e wi
t
h VV integrator
s
commit
|
commitdiff
|
tree
2015-11-16
M
ark
A
braham
Merg
e
branc
h
release-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark Ab
r
a
ham
Remo
v
e AdResS
commit
|
commitdiff
|
tree
2015-11-15
Ma
r
k Abraham
Move res
p
onsib
i
l
i
t
y for FFT descri
p
ti
o
n string
commit
|
commitdiff
|
tree
2015-11-14
M
ark Abraham
Mov
e
d
a
l
l cool st
u
ff to its
own
fil
e
commit
|
commitdiff
|
tree
2015-11-14
Ma
r
k Abraha
m
Fix walltim
e
me
a
surement with bgclang
commit
|
commitdiff
|
tree
2015-11-13
Mark Abr
a
h
a
m
Upda
t
e
includesort
e
r
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge
relea
s
e-5-0 i
n
to r
e
lease-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bum
p
p
a
tch version to prepare
for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
Move D
D
hashi
n
g
t
o domdec mo
d
ule
commit
|
commitdiff
|
tree
2015-11-05
M
a
r
k
Abraham
Handle
a
n
other unused variable
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
raham
Permit matrix bu
i
ld with
R
e
lWithDebInfo
set
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Merge bran
c
h releas
e
-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abr
a
ham
Eve
n
less mo
v
ing from unique_p
t
r
commit
|
commitdiff
|
tree
2015-11-04
Mark Abrah
a
m
Versi
o
n
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Fix icc 16
issues
commit
|
commitdiff
|
tree
2015-11-04
M
a
rk Ab
r
aham
S
t
op moving from uni
q
ue_ptr w
h
en
c
opy elision works
commit
|
commitdiff
|
tree
2015-11-03
Mark
A
b
ra
h
am
Q
u
iet warnin
g
s w
i
t
h
cla
n
g-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Mark Abraham
M
e
r
ge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abr
a
ham
Replace boost::shared_
p
tr
w
i
th std::shared
_
p
tr
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Use default alignment f
o
r OpenC
L
h
o
st buffer
commit
|
commitdiff
|
tree
2015-10-28
Mark
A
b
raham
Separate wallcyc
l
e respon
s
ibi
l
ities
commit
|
commitdiff
|
tree
2015-10-28
Mark Abr
a
h
am
Suppress warnings when we have OpenCL 2
.
0 support
commit
|
commitdiff
|
tree
2015-10-23
M
a
rk Abraha
m
Imp
r
ove implem
e
ntation
of cycle
s
ubcounting
commit
|
commitdiff
|
tree
2015-10-19
Ma
r
k
Ab
r
a
ham
Fix cycl
e
sub
c
o
unte
r
s
commit
|
commitdiff
|
tree
2015-10-16
Mark Abr
a
h
a
m
Add Jenkins options matrix to source repo
commit
|
commitdiff
|
tree
2015-10-14
Mark Abrah
a
m
Merge release-5-0 i
n
t
o release-5-1
commit
|
commitdiff
|
tree
2015-10-14
M
a
r
k
Ab
r
aham
Version bumps after r
e
lea
s
e
commit
|
commitdiff
|
tree
2015-10-14
Mark Abr
a
ham
Simp
l
i
fy genconf
commit
|
commitdiff
|
tree
2015-10-14
Mark A
b
r
a
ham
Ve
r
sion 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Merge br
a
nch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abra
h
am
Re
m
ove CG
L
O_RE
R
U
NMD
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Merge
b
ranc
h
release-5-1 i
n
to m
a
ster
commit
|
commitdiff
|
tree
2015-10-07
Mark Abrah
a
m
Fixed FFTW detect
i
on st
a
tus m
e
ssage locat
i
o
n
commit
|
commitdiff
|
tree
2015-10-05
Mark Abra
h
am
Merge r
e
lease-5-0
into relea
s
e-5-
1
commit
|
commitdiff
|
tree
2015-10-05
M
a
rk
A
br
a
h
a
m
Merge "
M
erge bra
n
ch release-5
-
1 into ma
s
ter"
commit
|
commitdiff
|
tree
2015-10-03
Mark Ab
r
ah
a
m
Fi
x
FindFF
T
W
b
ehav
i
our
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraha
m
F
i
x
md
r
un -nb
a
u
to -rerun
w
ith GPU
and energy groups
commit
|
commitdiff
|
tree
2015-10-02
Mark Abraham
Temporarily
t
est o
n
a machine w
i
th only two
G
P
U
s
commit
|
commitdiff
|
tree
2015-09-29
Mark Abrah
a
m
Clean up of ta
b
les c
o
d
e
commit
|
commitdiff
|
tree
2015-09-29
Mark Abrah
a
m
M
o
v
e tab
l
es
.
c to new module and C++
commit
|
commitdiff
|
tree
2015-09-29
M
a
r
k Abraham
H
ard-code fe
w
er
t
h
ings i
n
t
able code
commit
|
commitdiff
|
tree
2015-09-28
M
a
rk Abraham
Elimi
n
ate
u
se of typede
f
s
.
h
in kernel C code
commit
|
commitdiff
|
tree
2015-09-26
Mark
Abraham
Fix reaction-field warning mes
s
age
commit
|
commitdiff
|
tree
2015-09-16
Mar
k
Abraham
Remove GMX_NOC
H
AR
G
EGROUPS
commit
|
commitdiff
|
tree
2015-09-15
Mark A
b
raham
Merge b
r
a
nch release
-
5-1
commit
|
commitdiff
|
tree
2015-09-12
Mark Abr
a
ham
Clea
n
up t
p
xio
.
cpp
commit
|
commitdiff
|
tree
2015-09-09
Mark Abra
h
am
R
e
duce
m
i
suse of fatalerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
Mark Abraham
Add
G
ROMACS 5 paper to paper
lists
commit
|
commitdiff
|
tree
2015-09-04
Ma
r
k Abraham
Fix rec
e
nt tpr change
commit
|
commitdiff
|
tree
2015-09-03
Mark Abraham
Never ope
r
ate o
n
force array in
.
tpr
commit
|
commitdiff
|
tree
2015-08-28
Mark Abraham
Keep hw_opt more cons
t
commit
|
commitdiff
|
tree
2015-08-19
Mark Abraham
Ha
r
d
en
F
indSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-17
Mark A
b
raham
Remove inf
r
astructure for gmx proto
n
ate
commit
|
commitdiff
|
tree
2015-08-14
M
a
rk Abraham
Merge
b
ranch
r
eleas
e
-
5
-1 into
master
commit
|
commitdiff
|
tree
2015-08-14
M
ark Abraha
m
Bump patch version to prepare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark A
b
raha
m
V
ersion 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
M
ark Abraham
Ma
k
e
i
t
easier
to
f
ind selection help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abra
h
am
Ma
k
e it e
a
s
i
e
r to
f
ind s
e
lection
h
elp
commit
|
commitdiff
|
tree
2015-08-13
M
ark Abraham
Re-e
n
able mul
t
i
-GPU
s
u
pport in OpenCL for t
h
r
e
ad MPI
commit
|
commitdiff
|
tree
2015-08-13
Mark A
b
raham
Documentation fi
x
es
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
ham
Avo
i
d
FP e
x
ception with emp
t
y
.
m
d
p file
commit
|
commitdiff
|
tree
2015-08-12
Mark Abraham
Add
do
c
umentat
i
on fo
r
e
nergygrp
s
with GPUs
commit
|
commitdiff
|
tree
2015-08-12
M
a
rk Abraha
m
Add to auth
o
r
lists
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraham
Ab
o
rt if PME tuning is active and counters res
e
t
commit
|
commitdiff
|
tree
2015-08-10
M
a
rk A
b
raham
Requ
i
re
t
une_pme
t
o take
-mdrun par
a
m
e
ter
commit
|
commitdiff
|
tree
2015-08-08
M
a
rk Abraham
Merge br
a
nch release-5-0 int
o
release-5-1
commit
|
commitdiff
|
tree
2015-08-08
M
ark Abraham
F
ix docs of ftype
s
of dihedrals
commit
|
commitdiff
|
tree
2015-08-06
M
a
rk Abr
a
ham
Fix FindNVML
.
cmake
commit
|
commitdiff
|
tree
2015-08-06
Mark A
b
r
a
ham
Fix th
r
ead-affin
i
ty c
h
ecking
commit
|
commitdiff
|
tree
2015-08-05
M
ark
A
b
raham
Fix em dash in ne
w
refe
r
ence
commit
|
commitdiff
|
tree
2015-08-04
Mark Abra
h
am
M
e
rge rel
e
a
se-5-0
i
nto
rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark A
b
rah
a
m
Fix
use of wr
o
ngly-named
G
CC minor-version vari
a
ble
commit
|
commitdiff
|
tree
2015-08-03
Mark
A
b
r
aham
Fix possi
b
le
l
in
k
i
n
g of libxml2 to
zlib
commit
|
commitdiff
|
tree
2015-07-26
M
ark Ab
r
ah
a
m
Co
n
v
e
rt some mdrun u
t
ility code to C++
commit
|
commitdiff
|
tree
2015-07-26
Mark
Abraham
Merge br
a
n
ch
r
eleas
e
-5
-
0
into
r
e
l
e
a
s
e-5-
1
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Stop mdrun
p
r
inting
potent
i
ally und
e
fi
n
ed value
commit
|
commitdiff
|
tree
2015-07-26
M
ark Abraham
Ver
s
ion bumps after new release
commit
|
commitdiff
|
tree
2015-07-24
Mark Abraham
Merg
e
branch release-5-1
commit
|
commitdiff
|
tree
2015-07-24
Mark
A
braham
Ve
r
sion
5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark Abraham
Update
a
dvice about grompp -t
commit
|
commitdiff
|
tree
2015-07-14
Mark Abrah
a
m
Converted gm
x
preprocess to compile as
C
++
commit
|
commitdiff
|
tree
2015-07-08
Mark
Abra
h
am
Give bTypePerturbed a vali
d
initial value
commit
|
commitdiff
|
tree
2015-07-08
Mark A
b
raham
Fix grompp
.
edr IO estimate fo
r
free-energy calcs
commit
|
commitdiff
|
tree
2015-07-06
Mark A
b
raham
F
i
rst 5
.
1 re
l
e
a
se candidate
commit
|
commitdiff
|
tree
2015-07-03
Mark Abraham
Fix T
h
re
a
dMPI GPU
a
ssumptions
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
Document
how t
o
a
dd a
n
d use
N
VML suppo
r
t
commit
|
commitdiff
|
tree
2015-06-30
Mark
A
b
r
aham
Avoi
d
GP
U
d
ata race als
o
with
Open
C
L
commit
|
commitdiff
|
tree
2015-06-30
Mar
k
Abraham
Add
supp
o
rt for flushin
g
W
D
DM queue
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k Ab
r
aham
Merge "Merge br
a
nc
h
release-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k Abraham
Merge
b
ranch
r
el
e
ase-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
raham
Documented bui
l
d types in
developer guide
commit
|
commitdiff
|
tree
next