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 check for BitScanReverse64
2019-08-01
M
ark
Abraham
M
anage com
p
ile
r
flags an
d
some includ
e
o
ption
s
per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
M
a
rk Abraham
I
mp
r
ove use of ob
j
ect
libraries i
n
libgromacs
commit
|
commitdiff
|
tree
2019-08-01
Mark
Abrah
a
m
Merge "Merge rel
e
a
s
e-2
0
19 into master"
commit
|
commitdiff
|
tree
2019-07-24
Mark Abraham
Remov
e
tests o
f
make_unique
commit
|
commitdiff
|
tree
2019-07-23
Mark
A
braha
m
U
p
date developer guide
commit
|
commitdiff
|
tree
2019-07-16
Mark Abraha
m
A
d
d gpubuf
f
erops t
e
s
t matrix
commit
|
commitdiff
|
tree
2019-07-11
Mark A
b
raham
Fix
pre-submi
t
build matri
x
and descript
i
on
commit
|
commitdiff
|
tree
2019-07-08
Mark A
b
raham
F
ix
hwloc and sphin
x
d
e
tecti
o
n
commit
|
commitdiff
|
tree
2019-07-08
Mark Abr
a
h
a
m
Test specific hwloc ve
r
sion
s
commit
|
commitdiff
|
tree
2019-07-05
Mark
Ab
r
aham
Improve tests
o
f index block co
n
struct
i
on
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraha
m
Mode
r
nize
Fi
n
dH
w
loc
.
cmake
commit
|
commitdiff
|
tree
2019-07-04
Mark Ab
r
aham
Further clan
g
-
t
idy-7 fix
commit
|
commitdiff
|
tree
2019-07-04
Ma
r
k Ab
r
aham
Fix clang-
t
i
d
y-7 issues
commit
|
commitdiff
|
tree
2019-07-03
Mark Abraha
m
R
e
order options
commit
|
commitdiff
|
tree
2019-07-02
Mark Abraham
Clarify wor
d
ing o
f
releas
e
note
s
commit
|
commitdiff
|
tree
2019-06-18
M
ark Abraha
m
Mov
e
c
o
de
ha
n
d
li
n
g mdrun -gpu_id to tas
k
assignmen
t
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
Mark
A
braham
Fix
p
y
g
m
e
n
t
s
detection
f
or sphinx for docs build
commit
|
commitdiff
|
tree
2019-06-11
Mark Abrah
a
m
Use
R
A
I
I approac
h
es for hardware information det
e
ction
commit
|
commitdiff
|
tree
2019-06-11
Ma
r
k Abraha
m
Clea
n
up
multis
i
m,
co
m
munication, and REMD code
commit
|
commitdiff
|
tree
2019-06-11
Ma
r
k
Abraha
m
Initialize
all of gmx_domdec_comm_t
commit
|
commitdiff
|
tree
2019-05-24
Mar
k
A
braham
Reorder
code before t
h
re
a
d-MPI spa
w
ns thre
a
ds
commit
|
commitdiff
|
tree
2019-05-23
Ma
r
k
A
brah
a
m
Teach Arra
y
RefWithPad
d
ing t
o
m
a
ke a const flavour
commit
|
commitdiff
|
tree
2019-05-23
Mark Abraham
Revert "Fixed dvdla
m
bda
fo
r
SHAKE
+
FE"
commit
|
commitdiff
|
tree
2019-05-22
Mark Abraha
m
Rewrite starti
n
g
b
ehavior
commit
|
commitdiff
|
tree
2019-05-22
Mark
Abraham
Introduce tri-state enums fo
r
res
t
arts
commit
|
commitdiff
|
tree
2019-05-22
Mark
Abraha
m
Move
functionality to mdrunutili
t
y
commit
|
commitdiff
|
tree
2019-05-20
M
ark Abraham
Fix
equation ty
p
o
commit
|
commitdiff
|
tree
2019-05-14
Mark Abraham
Update infrastructure needed
f
or resta
r
t
rewrite
commit
|
commitdiff
|
tree
2019-05-08
M
ark Abraham
Pr
o
vide hook
for
f
orks o
f
GRO
M
ACS to de
s
cribe themselves
commit
|
commitdiff
|
tree
2019-05-07
M
a
r
k
Abraham
P
r
ovide better
h
elp for us
i
n
g
libc++
commit
|
commitdiff
|
tree
2019-05-07
Mark Ab
r
aham
A
dd an exam
p
le
o
f using an MPI
w
rapper com
p
il
e
r
commit
|
commitdiff
|
tree
2019-05-06
Ma
r
k A
b
raham
Imp
r
ove how mdrun -noappend names
o
utput f
i
les
commit
|
commitdiff
|
tree
2019-05-03
M
a
rk Abrah
a
m
M
or
e
tests for ho
w
m
d
r
un -cp
i
re
s
tart
s
handle files
commit
|
commitdiff
|
tree
2019-05-02
Mark Abraham
E
nhan
c
e
pa
t
h search function
s
commit
|
commitdiff
|
tree
2019-04-30
Mark Abraham
Te
s
t the out
p
ut of "gmx md
r
un help
"
commit
|
commitdiff
|
tree
2019-04-25
Mark Ab
r
ah
a
m
Update style guide about class enums
commit
|
commitdiff
|
tree
2019-04-23
Ma
r
k Ab
r
a
ham
Cla
r
ify push
i
ng
o
f i
n
teraction t
y
pes
commit
|
commitdiff
|
tree
2019-04-23
Mark Abrah
a
m
Upd
a
ted
c
l
a
n
g -Weve
r
ything checks to c
l
ang-7
commit
|
commitdiff
|
tree
2019-04-18
Mark Abraham
C
r
eate gmx::compat::op
t
ional
commit
|
commitdiff
|
tree
2019-04-18
M
a
r
k
Abraham
Move
pull work struct out of i
n
p
utrec
commit
|
commitdiff
|
tree
2019-04-18
Mark
A
braham
Imp
r
o
v
e swa
p
c
oords session life
t
ime manageme
n
t
commit
|
commitdiff
|
tree
2019-04-17
Mark Abraham
Fix
post-submit
commit
|
commitdiff
|
tree
2019-04-16
Mark
Abraham
Removed mdrun -gcom
commit
|
commitdiff
|
tree
2019-04-13
Mark
A
braham
Fix self-co
n
s
i
stency test
s
of hwloc data structures
commit
|
commitdiff
|
tree
2019-04-12
Mark A
b
raham
Impr
o
ve
w
arn
i
ng messages
about duplicate definitions
commit
|
commitdiff
|
tree
2019-04-10
Ma
r
k
Abraham
S
t
art makin
g
IMD and swap model IMDModule
commit
|
commitdiff
|
tree
2019-04-10
Mark
A
b
raham
Re
u
se rvecs_differ
in I
n
teractiveM
D
m
o
dule
commit
|
commitdiff
|
tree
2019-04-10
Mark Abraham
Make ImdSessio
n
into a Pimpl-e
d
cla
s
s wi
t
h factory
.
.
.
commit
|
commitdiff
|
tree
2019-04-10
Ma
r
k
A
braham
Refor
m
IMD module
commit
|
commitdiff
|
tree
2019-04-09
Mark Ab
r
aha
m
Fix typo in AVX51
2
detection code
commit
|
commitdiff
|
tree
2019-04-03
Mark Abraham
Initial
deactiva
t
ion
of group scheme
.
commit
|
commitdiff
|
tree
2019-04-01
Mark Abraham
Mov
e
MDMod
u
le
s
in
i
tializ
a
tion earlier
commit
|
commitdiff
|
tree
2019-04-01
Mark Abraham
Move enerdata
o
wnership to mdr
u
nne
r
commit
|
commitdiff
|
tree
2019-03-28
Mark Abraham
Move DomdecOp
t
ions into
its
own heade
r
commit
|
commitdiff
|
tree
2019-03-25
M
a
rk Ab
r
aham
Support
Arr
a
yRef of En
u
mer
a
tionArray
commit
|
commitdiff
|
tree
2019-03-25
M
a
rk Abraham
C
onvert gmx du
m
p
to module
commit
|
commitdiff
|
tree
2019-03-20
Mark Ab
r
ah
a
m
C
l
ean up mdrun help de
s
cri
p
t
ion
commit
|
commitdiff
|
tree
2019-03-20
Mark A
b
raham
I
m
pro
v
e
mimic
m
odule
commit
|
commitdiff
|
tree
2019-03-19
Mark
Abraham
Add support for serializi
n
g 32-bit integer
s
commit
|
commitdiff
|
tree
2019-03-19
Mark Abraha
m
Fix clang war
n
ing
commit
|
commitdiff
|
tree
2019-03-19
Mark Abraham
Upd
a
te
E
lectricF
i
el
d
mod
u
le
commit
|
commitdiff
|
tree
2019-03-19
Mark Abraham
Prevented F
F
TW build errors with clang
and A
V
X
-
5
1
2
commit
|
commitdiff
|
tree
2019-03-13
Mark Abraham
P
r
o
v
i
de re
m
i
n
der
o
f which nvcc is in us
e
commit
|
commitdiff
|
tree
2019-03-12
Mark Abr
a
ham
Fi
x
me
m
ory leak
commit
|
commitdiff
|
tree
2019-03-07
Mark Abraham
Eliminate mdlib/mdr
u
n
.
h
commit
|
commitdiff
|
tree
2019-03-07
Mark Abr
a
ham
R
e
move ineffective co
d
e for
writing more TER
f
ields
.
.
.
commit
|
commitdiff
|
tree
2019-03-07
Mark A
b
raha
m
N
ew test
s
for pdb2gmx and edit
c
onf
commit
|
commitdiff
|
tree
2019-03-06
Mark Ab
r
aham
Clean up u
s
e of lo
o
p
i
n
dices
commit
|
commitdiff
|
tree
2019-03-06
M
ar
k
Abraham
Revert
"Eliminate mdli
b
/m
d
run
.
h"
commit
|
commitdiff
|
tree
2019-03-06
Mark Abr
a
ham
Eliminat
e
mdl
i
b/mdrun
.
h
commit
|
commitdiff
|
tree
2019-03-06
M
ark Abraha
m
M
i
n
or moderni
z
ation in
g
mx_d
u
mp
commit
|
commitdiff
|
tree
2019-03-05
Mark Abraham
Ma
k
e
pdb2gmx t
e
sts
r
un in J
e
nkin
s
commit
|
commitdiff
|
tree
2019-03-02
Mark Abraham
M
erge branch relea
s
e-20
1
9
commit
|
commitdiff
|
tree
2019-03-02
Mark Abr
a
ham
R
e
m
o
ve defun
c
t mdr
u
n options
commit
|
commitdiff
|
tree
2019-02-27
Mark Abrah
a
m
Keep
n
iche
C
Make variables as advanced
commit
|
commitdiff
|
tree
2019-02-27
Mark Abraham
Rem
o
ve
min
o
r broken functionalit
y
in g
m
x b
a
r
commit
|
commitdiff
|
tree
2019-02-26
Mark Abraham
Add
new l
i
n
e
to trj
c
o
n
v notice to users
commit
|
commitdiff
|
tree
2019-02-25
Mar
k
Abr
a
h
a
m
Move code
out of sim_util
.
cpp
commit
|
commitdiff
|
tree
2019-02-25
Mark Abra
h
am
D
e-dupl
i
c
ate gmx_tmpnam and gmx_fopen_te
m
pora
r
y
commit
|
commitdiff
|
tree
2019-02-15
Mark Abrah
a
m
Improved dia
g
no
s
tics when PME cannot run on GPUs
commit
|
commitdiff
|
tree
2019-02-14
M
a
r
k
A
bra
h
am
F
i
x use
o
f selections referring to index groups
commit
|
commitdiff
|
tree
2019-02-14
Mark
Abraham
Reve
r
t changes
to imp
l
ementation
o
f inser
t
-
molecu
l
e
s
.
.
.
commit
|
commitdiff
|
tree
2019-02-13
Mark Abra
h
am
Improved
e
lectr
i
c-fie
l
d docs
commit
|
commitdiff
|
tree
2019-02-13
Mark
Ab
r
a
ham
Make EnergyO
u
t
p
ut wrapper class
commit
|
commitdiff
|
tree
2019-02-13
Mark A
b
raham
Reduce coupling to
p
a
d
dedv
e
c
t
or
.
h
commit
|
commitdiff
|
tree
2019-02-12
Mark
Abraham
Quiet cl
a
ng
w
ar
n
ing
commit
|
commitdiff
|
tree
2019-02-12
Ma
r
k Ab
r
a
ham
Remove
g
mx::Regex
commit
|
commitdiff
|
tree
2019-02-08
Mark Abra
h
a
m
Fix
Intel compiler warning
commit
|
commitdiff
|
tree
2019-02-08
Mark Abraham
R
e
move
c
o
py_energy fr
o
m energy-wri
t
ing steps
commit
|
commitdiff
|
tree
2019-02-08
Mark
A
bra
h
am
R
e
form energy output tests
commit
|
commitdiff
|
tree
2019-02-04
Mark
A
brah
a
m
Remo
v
e SIMD
s
up
p
o
rt from group
sc
h
eme
commit
|
commitdiff
|
tree
2019-01-30
Mark Abraham
Merge rem
o
te branch rel
e
as
e
-20
1
8 into re
l
ease-2019
commit
|
commitdiff
|
tree
2019-01-30
M
ark Abra
h
am
Fix r
e
lease no
t
es iss
u
e lin
k
s
commit
|
commitdiff
|
tree
2019-01-30
M
a
r
k
Abraham
Fix
r
e
l
ease n
o
tes issue link
s
commit
|
commitdiff
|
tree
2019-01-28
Mark
A
brah
a
m
Stop tr
y
ing to
c
heck nvcc on Windows
commit
|
commitdiff
|
tree
2019-01-28
Mark A
b
raham
Bump CUDA requ
i
rement to 9
.
0
commit
|
commitdiff
|
tree
2019-01-25
Mark Abr
a
ham
R
e
quire c
l
ang 3
.
6
commit
|
commitdiff
|
tree
2019-01-25
Mark
Abraham
F
i
x post-submit b
u
ild
commit
|
commitdiff
|
tree
2019-01-25
Mark Abraham
Unif
y
regex implementation
commit
|
commitdiff
|
tree
2019-01-25
Mark Abraham
Bump require
d
g
cc co
m
p
iler t
o
5
.
1
commit
|
commitdiff
|
tree
next