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
GROMACS version 2020.2
2020-04-30
Paul Ba
u
er
GROMACS ve
r
sion
2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
Paul B
a
ue
r
Print
b
a
se commit for source li
n
ters
commit
|
commitdiff
|
tree
2020-04-30
Paul
Bauer
Fix
in
c
orre
c
t header
a
n
d linter
s
cripts
commit
|
commitdiff
|
tree
2020-04-30
Paul Bau
e
r
D
isallo
w
combination o
f
gcc > 9 and IB
M
_VSX
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Use test conversion
sc
r
ip
t
from
s
ource
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix segmentat
i
on
fault in do
_
dssp
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Build p
y
t
h
on pa
c
kag
e
f
or doc
u
m
entation builds
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix wa
r
ning fo
r
return type
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix bug i
n
source
verificatio
n
on
Windows
commit
|
commitdiff
|
tree
2020-04-25
P
aul B
a
uer
Fix
c
o
p
yright hea
d
er
commit
|
commitdiff
|
tree
2020-04-25
Paul Bauer
Use
b
r
a
nch point also
for format and c
o
pyright
c
heck
commit
|
commitdiff
|
tree
2020-04-24
Paul Bau
e
r
F
ix para
l
l
e
l
testin
g
commit
|
commitdiff
|
tree
2020-04-22
Pau
l
Bau
e
r
Copy of CI from master
to 2020
commit
|
commitdiff
|
tree
2020-03-22
Paul Bauer
Fi
x
release bui
l
ds on Gitlab with
r
egression
t
ests
commit
|
commitdiff
|
tree
2020-03-22
Pau
l
Bauer
A
d
d
Documenta
t
ion buil
d
to script
commit
|
commitdiff
|
tree
2020-03-20
P
a
ul B
a
u
er
Add script
to generate
C
I Dock
e
r fi
l
e
s
commit
|
commitdiff
|
tree
2020-03-19
P
aul
B
auer
Add
r
equired Infrastr
u
cture
f
o
r Gitlab merges
commit
|
commitdiff
|
tree
2020-03-18
Pa
u
l Bauer
Fix image mixup for GItlab doc
b
uilds
commit
|
commitdiff
|
tree
2020-03-07
Paul
Bau
e
r
Add clang-tidy script
commit
|
commitdiff
|
tree
2020-03-03
Paul Bauer
P
r
epare for 2020
.
2
commit
|
commitdiff
|
tree
2020-03-03
Paul Bauer
V
er
s
i
o
n 2020
.
1
commit
|
commitdiff
|
tree
2020-03-03
Paul
B
a
uer
A
l
ways hash
f
iles when building from r
e
l
e
ase
tarball
commit
|
commitdiff
|
tree
2020-03-02
Paul Bauer
Add C
u
da build
t
o
g
itlab
CI
commit
|
commitdiff
|
tree
2020-03-02
Paul B
a
uer
Revert "Remove frozen
a
toms fr
o
m VCM
g
roups"
commit
|
commitdiff
|
tree
2020-03-02
Pa
u
l Bauer
Rem
o
ve frozen atoms f
r
om V
C
M
g
roups
commit
|
commitdiff
|
tree
2020-02-28
Paul Baue
r
Merge br
a
nch
r
elease-2019
i
n
t
o re
l
ease-202
0
commit
|
commitdiff
|
tree
2020-02-28
Pa
u
l Bauer
Define al
l
CPU NB
k
e
rnel
s
commit
|
commitdiff
|
tree
2020-02-28
Paul Bauer
Versi
o
n
2
0
1
9
.
6
commit
|
commitdiff
|
tree
2020-02-25
Paul B
a
uer
A
v
oid inte
g
er ove
r
flow in dispersion correctio
n
commit
|
commitdiff
|
tree
2020-02-25
Paul Bauer
Rever
t
"Expose vsite counting"
commit
|
commitdiff
|
tree
2020-02-24
Paul
Bauer
Fix clang-6 image
temp
l
ate
commit
|
commitdiff
|
tree
2020-01-29
Paul B
a
uer
W
o
rkaround for Gitlab archive
s
ize
commit
|
commitdiff
|
tree
2020-01-24
Paul Bauer
Use utf-8 for python file reading
commit
|
commitdiff
|
tree
2020-01-21
Paul Bauer
Fix doc
u
mentation error with doxy
g
en
>1
.
8
.
16
commit
|
commitdiff
|
tree
2020-01-17
Paul Bauer
A
c
t
u
ally fix Gitlab doc bu
i
ld
commit
|
commitdiff
|
tree
2020-01-17
Pa
u
l B
a
uer
Fix bad link
i
n d
e
veloper docs
commit
|
commitdiff
|
tree
2020-01-16
Paul Bauer
Fix nightly build fa
i
lure on
Gitl
a
b
commit
|
commitdiff
|
tree
2020-01-13
Pau
l
Baue
r
R
evert "E
x
cl
u
de build-system
f
iles fro
m
C
P
ac
k
"
commit
|
commitdiff
|
tree
2020-01-01
Paul
B
au
e
r
Pr
e
pare for 2
0
20
.
1
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
GROM
A
CS 2020
release
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
Rever
t
"GROMACS 2020 r
e
l
ease"
commit
|
commitdiff
|
tree
2020-01-01
Paul B
a
u
er
GROMA
C
S 2020 r
e
lease
commit
|
commitdiff
|
tree
2019-12-30
Paul Bau
e
r
Fix
b
uild error with wrong name from cached cm
a
ke file
commit
|
commitdiff
|
tree
2019-12-28
Paul B
a
u
e
r
Change r
e
leng to give inf
o
r
m
a
tion abou
t
G
itlab
commit
|
commitdiff
|
tree
2019-12-28
Pa
u
l Bau
e
r
E
x
tend informatio
n
for GPU
u
pda
t
e
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
E
x
clude
b
ui
l
d
-
s
ystem file
s
from CPack
commit
|
commitdiff
|
tree
2019-12-28
P
aul
B
a
u
er
Re
m
ove mem
b
ed from featur
e
s
commit
|
commitdiff
|
tree
2019-12-28
P
a
u
l Bauer
D
e
precate
supp
o
rt fo
r
Armv7
commit
|
commitdiff
|
tree
2019-12-27
Pau
l
B
auer
Add copyright check and i
m
pr
o
ve cache usa
g
e
commit
|
commitdiff
|
tree
2019-12-27
Paul Bauer
M
e
r
ge origin/release-201
9
into r
e
lea
s
e-2020
commit
|
commitdiff
|
tree
2019-12-23
Pau
l
B
auer
Add files for Gitlab CI
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
P
r
ep
a
re for GR
O
MACS
2
019
.
6
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
GROMACS version 20
1
9
.
5
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
Revert
"
Fix
t
hat tests intended for
multiple ranks
.
.
.
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
Fix wrong hea
d
er
i
n
r
e
l
ease notes
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
GROMACS 2020 release ca
n
didate
commit
|
commitdiff
|
tree
2019-12-19
P
aul
Baue
r
F
i
x regression
t
est
s
f
a
i
l
ing wit
h
c
t
est
commit
|
commitdiff
|
tree
2019-12-18
P
a
u
l Ba
u
er
Add abi
l
ity to
set OMP and tMPI thread
f
or
c
test
commit
|
commitdiff
|
tree
2019-12-18
Pa
u
l Ba
u
er
Ignore build hos
t
for CI
bui
l
d
s
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Test parallel
m
pi onl
y
with openmp
commit
|
commitdiff
|
tree
2019-12-17
Paul Bau
e
r
Se
t
correct d
e
pendency
for doc b
u
ild
o
n gmxa
p
i
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Fix compiler warn
i
ng about ex
t
r
a
;
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Fix formatting e
r
ror
commit
|
commitdiff
|
tree
2019-12-16
Pau
l
B
auer
Fix
torsio
n
angle calculation
commit
|
commitdiff
|
tree
2019-12-13
Paul Bauer
Check
f
or using
c
orrect hwloc headers and
r
un
t
ime
commit
|
commitdiff
|
tree
2019-12-03
P
a
ul Bauer
Thir
d
beta
r
e
l
ease of GROM
A
CS 2
0
2
0
commit
|
commitdiff
|
tree
2019-12-03
Paul Bauer
Rev
e
rt "Enable GPU update w
i
th
D
D wh
e
n
G
PU comm
f
eatures
.
.
.
commit
|
commitdiff
|
tree
2019-12-03
Paul Baue
r
F
i
x
n
igh
t
ly
buil
d
by
correctly
defining sev
e
ral
commit
|
commitdiff
|
tree
2019-12-02
Paul B
a
uer
Set update to run on G
P
U by default
i
f po
s
si
b
le
commit
|
commitdiff
|
tree
2019-12-01
Paul Bauer
Use DOI for cit
i
ng in
re
f
erence
m
anual section
commit
|
commitdiff
|
tree
2019-11-29
Pa
u
l Baue
r
Fix unalign
e
d acc
e
ss with AVX512
commit
|
commitdiff
|
tree
2019-11-29
Paul Bauer
Fix build error
wi
t
hout thread
or regular mpi
commit
|
commitdiff
|
tree
2019-11-28
Paul
Bauer
Check for
using co
r
re
c
t hwloc h
e
aders a
n
d runtime
commit
|
commitdiff
|
tree
2019-11-28
Paul Bau
e
r
Fix posts
u
bmit
commit
|
commitdiff
|
tree
2019-11-26
Paul Bauer
Fix unused
v
ariable warning in e
w
al
d
c
o
de
commit
|
commitdiff
|
tree
2019-11-20
P
aul Bau
e
r
Me
r
ge
'
origin/r
e
lea
s
e-
2
0
1
9' i
n
to release-2020
commit
|
commitdiff
|
tree
2019-11-14
Paul Bauer
Fix form
a
ttin
g
error
commit
|
commitdiff
|
tree
2019-11-13
Paul Bauer
Ad
d
buil
d
to run clang
-
format update on Jenkins
commit
|
commitdiff
|
tree
2019-11-12
P
aul Bauer
I
n
dica
t
e
which vers
i
ons a
r
e no longer supported
commit
|
commitdiff
|
tree
2019-11-07
Paul
B
auer
Appl
y
clan
g
-format to
s
ource tre
e
commit
|
commitdiff
|
tree
2019-11-04
Paul Bauer
A
d
d
build
f
or clan
g
-
format
commit
|
commitdiff
|
tree
2019-11-04
P
a
ul Bauer
Split up s
o
u
rce code
f
o
rma
t
ting
s
c
r
i
pts
commit
|
commitdiff
|
tree
2019-11-01
Pa
u
l
B
a
ue
r
S
e
cond
b
e
ta rel
e
ase of GROMACS 2020
commit
|
commitdiff
|
tree
2019-11-01
Paul Bauer
Prepare f
o
r 2020
b
eta 2
commit
|
commitdiff
|
tree
2019-11-01
Pau
l
Bauer
Add validation of t
a
rball builds
commit
|
commitdiff
|
tree
2019-10-31
Paul Bauer
U
s
e t
y
pe
o
f
e
xplicit size
i
n inmemoryserializer
commit
|
commitdiff
|
tree
2019-10-29
Paul
B
a
u
er
M
er
g
e
"M
e
rge branch
're
l
ease-2019' into master"
commit
|
commitdiff
|
tree
2019-10-29
Paul Bauer
M
erge
b
ran
c
h '
r
e
lease-2019' into mas
t
er
commit
|
commitdiff
|
tree
2019-10-18
Pau
l
Bau
e
r
Use cla
n
g-t
i
dy-
8
commit
|
commitdiff
|
tree
2019-10-15
Pau
l
B
auer
Fix bug in prepr
o
cessing
commit
|
commitdiff
|
tree
2019-10-11
Paul Baue
r
A
dd help
e
r
to reuse
g
enerated TPR files in tes
t
ing
commit
|
commitdiff
|
tree
2019-10-10
Paul B
a
uer
Ba
s
ic popula
t
ion
o
f
sim
u
lation workload
commit
|
commitdiff
|
tree
2019-10-02
Paul Bauer
Fix failures
in cl
a
ng-8
nightly build
commit
|
commitdiff
|
tree
2019-10-02
Pa
u
l Bau
e
r
P
re
p
are fo
r
20
1
9
.
5
commit
|
commitdiff
|
tree
2019-10-02
Pa
u
l
Bauer
GR
O
MACS ve
r
si
o
n 2019
.
4
commit
|
commitdiff
|
tree
2019-10-01
Paul B
a
uer
Fix
c
h
ain ID
h
andling in
m
ake_ndx
commit
|
commitdiff
|
tree
2019-09-26
Paul Bauer
Revert "Remov
e
up
d
a
t
e
f
lag aga
i
n"
commit
|
commitdiff
|
tree
2019-09-25
Paul Bauer
GROMACS 2
0
2
0
f
irst beta
r
elease
commit
|
commitdiff
|
tree
2019-09-24
Paul Bauer
A
d
d test for noappend
commit
|
commitdiff
|
tree
2019-09-24
Paul Baue
r
Merge branch r
e
l
ease-2019 into master
commit
|
commitdiff
|
tree
next