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
Fix use of GMX_SIMD in own-fftw build
2017-07-20
Mark Abraham
Fix use of GMX_S
I
MD in own-
f
ftw b
u
ild
commit
|
commitdiff
|
tree
2017-07-19
Mark
A
bra
h
am
Made post-submit config to tes
t
clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
r
k Abraham
Improve CMake i
m
plemen
t
atio
n
for GMX
_
SIMD
commit
|
commitdiff
|
tree
2017-07-18
M
a
r
k
A
braham
C
o
nverted som
e
c
o
nst
pointer
s
int
o
const references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraha
m
Elimin
a
te
d
pick_nbn
x
n_r
e
sou
r
ces
commit
|
commitdiff
|
tree
2017-07-14
Mark
Abraham
Implement
e
d
g
rompp -po for options-styl
e
mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Mark A
b
rah
a
m
Clean up cmake bui
l
d host detect
i
on
commit
|
commitdiff
|
tree
2017-07-13
Mark Abrah
a
m
C
l
ean
u
p
gmx_md
r
un()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abrah
a
m
Cleaned up m
d
run
n
e
r_start_threads
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
r
a
ham
More upd
a
tes t
o
testing
mat
r
ix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
R
ef
a
ctor
e
rro
r
h
a
ndling
i
n
i
n
it_gp
u
commit
|
commitdiff
|
tree
2017-07-06
Mark
A
braha
m
S
i
m
p
lify gmx
_
gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean
up pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark A
b
rah
a
m
Cleaned up GPU emulation
l
ogic
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk Abrah
a
m
Clea
n
ed up high-l
e
v
e
l boolean variab
l
e naming
commit
|
commitdiff
|
tree
2017-06-28
Mark
Abra
h
a
m
Merge
branch release-2016
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Mino
r
i
m
provem
e
nts to test configs
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k
A
bra
h
am
Cons
o
lidated logic for choosing num
b
er of th
r
ead-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
ar
k
Abraham
Replac
e
misnamed nbnxn_gpu_acceleration_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Ab
r
aham
Consolidate and fix logic
f
or m
d
run -nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Re
f
orm ngp
u
v
a
riabl
e
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
R
e
move bUserSetG
p
uIds field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abrah
a
m
Simplify reporting
f
rom init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark
A
b
rah
a
m
Move gmx_parse_gpu_id out
o
f
c
h
ecking
f
unctio
n
commit
|
commitdiff
|
tree
2017-05-31
M
a
rk Abraham
New q
u
ote
commit
|
commitdiff
|
tree
2017-05-30
M
a
rk
Abraham
Fi
x
NVML err
o
r m
e
ssages
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Quotes from Gottingen works
h
op
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
Test inv
s
ixt
h
root f
u
nction
a
s int
e
n
d
ed
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
raham
U
p
dated use of
c
o
mpiler spec
i
fiers in t
e
sting
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated us
e
of
g
c
c-5 specifiers
commit
|
commitdiff
|
tree
2017-05-15
M
a
r
k
A
brah
a
m
U
pdate
clang static analyzer
slave to use ver
s
i
o
n
4
commit
|
commitdiff
|
tree
2017-05-14
M
a
rk Abraham
U
p
date clang-4
commit
|
commitdiff
|
tree
2017-05-09
Mark
Abraham
Fix form
a
t
ting o
f
MKL cmake docs
commit
|
commitdiff
|
tree
2017-05-09
Mark Abr
a
ham
Me
r
ge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abraham
Cleaned up
me
m
o
r
y usage
i
n gmx traj and t
r
jconv
commit
|
commitdiff
|
tree
2017-04-22
Mark A
b
raham
Clean up memory
usage w
i
th oenv and xv
g
writ
i
ng
commit
|
commitdiff
|
tree
2017-04-17
Ma
r
k A
b
raham
Minor c
h
a
n
ge to
GPU compatibility r
e
porting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
br
a
ha
m
Propose a
p
o
st-submi
t
m
a
t
rix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Remove do_pbc
_
fir
s
t
commit
|
commitdiff
|
tree
2017-03-31
Mark Abra
h
am
Merge
branch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix
p
arameter description for dihedral_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraha
m
A
dd section to user guide fo
r
m
an
a
ging
s
imula
t
ions
commit
|
commitdiff
|
tree
2017-03-19
Mark A
b
rah
a
m
Fix strin
g
handling for
g
cc 7
commit
|
commitdiff
|
tree
2017-03-14
M
ark A
b
raham
Merge branch release-201
6
commit
|
commitdiff
|
tree
2017-03-14
Mark Abr
a
ham
Bumped vers
i
on
to prepa
r
e for
n
ext patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
Version 20
1
6
.
3
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k
A
b
raham
Modernize
wr
i
te_
i
npfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Moder
n
iz
e
read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark A
b
rah
a
m
Tests for g
r
ompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mar
k
Abrah
a
m
R
e
fac
t
or GPU
se
l
e
c
t
ion
h
a
nd
l
ing
commit
|
commitdiff
|
tree
2017-03-07
Mark
A
br
a
ham
Fix min
o
r issue
s
in gmx
traj -av -a
f
commit
|
commitdiff
|
tree
2017-03-04
M
ark Abraham
Fi
x
es for
xl compilers 13
.
1
.
5
on Po
w
er8
commit
|
commitdiff
|
tree
2017-02-20
Mark
Abr
a
ham
Add tes
t
s for old gmx energy f
u
nctionality
commit
|
commitdiff
|
tree
2017-02-17
Mar
k
Abraham
U
s
e gmx::Mut
e
x and gmx::lock_guar
d
to fix some
issues
commit
|
commitdiff
|
tree
2017-02-15
Mark
A
brah
a
m
Merge branch release-5-1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
raham
Fix
ha
n
dling of previous v
i
r
ials
commit
|
commitdiff
|
tree
2017-02-14
Mark Abr
a
ham
Redu
c
e
compila
t
ion
coupli
n
g
commit
|
commitdiff
|
tree
2017-02-10
Mar
k
Ab
r
aham
C
orrected output of gmx do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abra
h
a
m
Comple
t
e
t
h
e
rem
o
val of sta
t
e
ful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraha
m
Impr
o
ved stat
e
_change_
n
ato
m
s
and used it
m
ore
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Abraham
Rem
o
v
e
EST_DI
S
TR
fr
o
m state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k
Abraha
m
Enhance
w
a
rninp
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraha
m
Extend serialization
t
o
gmx_int
6
4_
t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Remov
e
docs fo
r
unimplement
e
d
trjconv
-c
l
ustercenter
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abraham
Cr
e
a
te applied-forces
m
o
dule
g
r
oup
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
braham
G
i
ve MDModules
responsibility fo
r
option handling
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
M
e
rge b
r
anch release-
2
016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Bumped version to prepa
r
e for next patch r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Introduced system
preparation section
t
o user guide
commit
|
commitdiff
|
tree
2017-02-07
M
ark Abraham
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
ar
k
A
b
r
aham
Merge
b
ranch rele
a
se
-
5-1 int
o
rel
e
ase-2
0
16
commit
|
commitdiff
|
tree
2017-02-03
Mark
A
braham
R
e
move
ty
p
edef struct in some mdtypes files
commit
|
commitdiff
|
tree
2017-02-02
Mar
k
Ab
r
aham
Cl
a
rify use of tau-
p
and pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge branch
release-5-1
i
n
t
o re
l
e
a
se
-
2016
commit
|
commitdiff
|
tree
2017-01-30
Mark A
b
r
a
ham
Fix mult
i
-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark
A
braham
Don't p
r
int i
n
vali
d
perf
o
rmance data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
Stopped hea
d
e
r f
i
les including s
t
at
e
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Ab
r
aham
Fixed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
R
e
moved
i
nit_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraha
m
Initializ
e
GMX_*_LIBRARIES cmake varia
b
les ear
l
ier
commit
|
commitdiff
|
tree
2017-01-14
Mark
A
braham
Merge branch r
e
lease-
2
016
commit
|
commitdiff
|
tree
2017-01-06
M
a
r
k
Abra
h
am
D
o
cument ISerializer class
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Stop
trying to use objdump --re
l
o
c on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix
docum
e
ntatio
n
o
f Optio
n
sVisito
r
commit
|
commitdiff
|
tree
2017-01-03
M
a
rk Abraham
Mer
g
e branch re
l
ease-5-1 in
t
o
release
-
2
0
16
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
C
o
rrected docum
e
ntation about eigenvalue handling
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
braham
Improve
build s
y
ste
m
fo
r
p
lugin
supp
o
rt
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abra
h
am
Sa
n
itize some include
headers
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk A
b
ra
h
am
Merge
b
ranch release-2016
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k
Abraham
R
emoved s
u
pport
for m
u
l
t
iple ent
r
ies i
n
mdp fil
e
s
commit
|
commitdiff
|
tree
2016-12-15
Mark A
b
r
aham
Handle warninp
correctly
i
n
xpm2ps and
m
e
mbed
commit
|
commitdiff
|
tree
2016-12-14
Mark Ab
r
aham
Fix misle
a
ding parallel
i
zation docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark
A
braham
Fix logic o
f
TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Ab
r
aham
Rem
o
ve n
x
frame from
t
_t
r
xstatus
commit
|
commitdiff
|
tree
2016-12-08
M
ark Abraham
Co
n
solidate files supporting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Merge branch r
e
lea
s
e-2016
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix memory
handling in
g
mx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
Remo
v
e undue
n
arrowing
o
f integ
e
r in
TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Ab
r
aham
Add INSTALL-dev to aid pe
o
p
l
e doing unusual builds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Fix minor t
r
jconv
b
ug
commit
|
commitdiff
|
tree
next