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
Update GoogleTest to v1.8.1
2020-10-02
Mark Abraham
Update G
o
ogleTest to v1
.
8
.
1
commit
|
commitdiff
|
tree
2020-09-30
Mar
k
Abraha
m
Fix
w
ar
n
ings i
s
s
ued
by clang
with nvcc
commit
|
commitdiff
|
tree
2020-09-25
Mark A
b
raham
Ensur
e
the modular si
m
ulator runs only when it shou
l
d
commit
|
commitdiff
|
tree
2020-09-23
Mark Abraham
R
e
p
ort name of mi
s
s
i
n
g OpenCL
kerne
l
s
commit
|
commitdiff
|
tree
2020-09-23
M
a
rk Abraham
Permit comp
a
r
ison of only firs
t
frames
commit
|
commitdiff
|
tree
2020-09-22
M
ark Abraha
m
Spl
i
t m
d
run-test
commit
|
commitdiff
|
tree
2020-09-21
Mark Abraha
m
Wrong logic
w
as used
commit
|
commitdiff
|
tree
2020-09-16
Mark Abrah
a
m
Activate AMD Op
e
nCL build i
n
r
e
lease matrix
commit
|
commitdiff
|
tree
2020-09-12
Ma
r
k
A
brah
a
m
F
i
x GPU dev
i
ce info broadc
a
st with
MPI
commit
|
commitdiff
|
tree
2020-08-26
Mark
Abr
a
ham
Permit
build with CUDA 11
.
0
commit
|
commitdiff
|
tree
2020-08-17
Mark
A
braham
All
o
w simpler use of scripted contain
e
r
b
uilds
commit
|
commitdiff
|
tree
2020-08-17
Mark
Abraham
Restore use of CUDA 11
.
0
i
n CI
commit
|
commitdiff
|
tree
2020-08-17
Mark Abr
a
h
am
Build fewe
r
unnec
e
ssary SIMD kernels in CI
commit
|
commitdiff
|
tree
2020-08-17
Mar
k
Abraham
Supp
o
rt o
n
eAPI in
gi
t
la
b
CI
commit
|
commitdiff
|
tree
2020-08-17
Mark Abraham
Stop
p
e
d usin
g
i
m
ages
in b
i
ophysics
Docker re
p
o
s
ito
r
y
commit
|
commitdiff
|
tree
2020-08-17
M
a
rk Abraham
Avoid
b
u
i
l
ds with
R
elWithDebInfo
commit
|
commitdiff
|
tree
2020-08-17
M
a
rk Abraham
F
i
x
isHos
t
MemoryPin
n
ed for changes in
C
U
D
A 11
.
0
commit
|
commitdiff
|
tree
2020-08-12
Mark Abraham
Revert to
CUDA 10 im
a
ge
for CI
commit
|
commitdiff
|
tree
2020-08-08
Mark
A
braham
Fix ty
p
o in docs
commit
|
commitdiff
|
tree
2020-08-07
Mark Abraham
F
i
x
r
el
e
ase build
warning
commit
|
commitdiff
|
tree
2020-08-06
Ma
r
k Abrah
a
m
Keep all the infra and the
u
ser happ
y
commit
|
commitdiff
|
tree
2020-08-06
Mark
A
braham
U
p
date minimum
tested CUDA to 11
.
0
commit
|
commitdiff
|
tree
2020-07-31
M
a
rk Ab
r
a
h
am
Move code to pre
p
a
r
e for
mul
t
isim class
commit
|
commitdiff
|
tree
2020-07-31
Ma
r
k Abrah
a
m
Release conf
i
g
s
were using a wrong b
u
ild type
commit
|
commitdiff
|
tree
2020-07-31
Mark Ab
r
aham
Release
c
on
f
i
g
s were using a
wrong build ty
p
e
commit
|
commitdiff
|
tree
2020-07-27
Mark Abraham
Fix
w
ar
n
ings
i
n r
e
lease builds
commit
|
commitdiff
|
tree
2020-07-27
Mark Ab
r
aham
F
ix RDTS
C
P handling
commit
|
commitdiff
|
tree
2020-07-15
Mark Abraham
Divide defau
l
t com
m
unicator from DD
c
o
m
m
u
nic
a
tors
commit
|
commitdiff
|
tree
2020-07-08
Ma
r
k A
b
raha
m
Fix
i
ssues fou
n
d with clang-tid
y
commit
|
commitdiff
|
tree
2020-06-25
M
a
rk
A
braham
Res
t
ored the co
m
men
t
commit
|
commitdiff
|
tree
2020-06-23
Mark Abraham
WIP
:
Finis
h
remov
i
ng compile_cpp_as_cu
d
a
commit
|
commitdiff
|
tree
2020-06-01
Mark Abraham
Fix
atomics config
u
re test
commit
|
commitdiff
|
tree
2020-05-29
Mark Ab
r
aham
Mak
e
Cy
g
win build
work
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Remove b
u
n
d
led FindCUDA
.
c
make
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
F
i
x compiler flag r
e
po
r
ting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Update cmak
e
ver
s
ion for
do
c
s conta
i
ner
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Baseline com
m
it
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
F
i
xed seve
r
al c
l
ang-tidy issues
commit
|
commitdiff
|
tree
2020-04-27
M
a
rk Abraham
Imp
r
ove
d
some l
o
gic in d
o
_force
commit
|
commitdiff
|
tree
2020-04-25
Mark
A
braham
M
ove conf
i
gu
r
ation o
f
global headers
commit
|
commitdiff
|
tree
2020-04-23
Mar
k
Ab
r
aham
Mark HWLOC cmake cach
e
variable as advance
d
commit
|
commitdiff
|
tree
2020-04-23
Mark
Abraham
Fix warnings
f
or
n
o-
m
p
i
b
ui
l
d
commit
|
commitdiff
|
tree
2020-04-21
Mark
A
b
r
aham
F
ix warn
i
ng
s
wit
h
clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abraha
m
Introduce GM
X
_USE
_
SIM
D
_K
E
R
N
ELS cmake option
commit
|
commitdiff
|
tree
2020-04-14
Mark Abraham
Fix more cl
a
ng warnings
commit
|
commitdiff
|
tree
2020-04-13
Ma
r
k
Abr
a
h
am
Fix
w
arn
i
ngs for no-mpi build
commit
|
commitdiff
|
tree
2020-04-12
Mark Abra
h
a
m
Re
m
oved unused vari
a
ble in force
t
a
b
le
gener
a
t
i
on
commit
|
commitdiff
|
tree
2020-04-12
M
ark Abraham
Fini
s
h remov
i
ng ENCAD shift
s
and table generation
commit
|
commitdiff
|
tree
2020-04-12
Ma
r
k Abr
a
ha
m
U
p
d
ate to clang
-
t
i
dy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark A
b
raham
Fixes for clang-tid
y
-9
commit
|
commitdiff
|
tree
2020-04-07
Mar
k
Abraham
Replace EnumOption w
i
th
Enumera
t
ionArr
a
yOption
commit
|
commitdiff
|
tree
2020-04-01
Mark Abraham
Fix mino
r
bug with t
o
ols time
-
unit con
v
ersions
commit
|
commitdiff
|
tree
2020-03-30
Mark Abraham
Set b
u
ff
e
rs approp
r
i
ately so
.
xpm
f
iles ca
n
be read
.
commit
|
commitdiff
|
tree
2020-03-18
Mark Ab
r
aham
Fix unused variable in PME Op
e
nCL kernel
commit
|
commitdiff
|
tree
2020-03-18
M
a
rk
A
braham
Simplify PME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark Abraham
Move testin
g
cod
e
to test directory
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
Requi
r
e
p
ad
d
ed ato
m
dat
a
for
PME GPU
commit
|
commitdiff
|
tree
2020-03-09
M
ark Abraham
C
o
nsoli
d
ate PME GPU spline infrastructure
commit
|
commitdiff
|
tree
2020-03-06
Mark Ab
r
aham
Simp
l
ify
c
om
p
i
l
i
n
g
GPU c
o
de
for tests
commit
|
commitdiff
|
tree
2020-03-05
Mark A
b
raham
Simplify PME step workload management
commit
|
commitdiff
|
tree
2020-03-04
Mark Abr
a
ham
Improve TPI
h
andl
i
n
g
commit
|
commitdiff
|
tree
2020-02-23
Ma
r
k
A
b
raham
Removed unused PME gather functionalit
y
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraha
m
A
d
ded more docs
a
nd tests
t
o
E
n
umeratio
n
Array
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
U
p
da
t
e som
e
n
b
nx
m
kernel constants to constexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abrah
a
m
Remove elemen
t
-size
m
emb
e
r fields
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Ma
k
e NbnxnGpu class with con
s
t
ructor
commit
|
commitdiff
|
tree
2020-01-17
Mark Abraham
Regular
i
ze nbnxm
m
o
d
ul
e
doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Abr
a
ham
M
a
ke
nbnxm
headers mo
r
e self-containe
d
commit
|
commitdiff
|
tree
2020-01-09
Mar
k
Abraham
Clean up ewald m
o
dule internals
commit
|
commitdiff
|
tree
2020-01-09
M
a
rk A
b
raham
Split
lines wit
h
many
c
op
y
ri
g
ht years
commit
|
commitdiff
|
tree
2019-12-31
Mark Abraham
Av
o
id 386 O3 codegen
bug even m
o
re
commit
|
commitdiff
|
tree
2019-12-30
M
ar
k
Abraham
Tests that
v
erify s
e
ri
a
l
i
zer be
h
a
v
i
o
urs
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Remove u
s
e of tuple in LIN
C
S
code for GPU imp
l
e
m
entation
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k Ab
r
aham
Remove G
M
X_
C
YCLECOUN
T
ERS
commit
|
commitdiff
|
tree
2019-12-28
Mark A
b
raham
Me
r
ge "Merg
e
o
r
igin/release-2019 into rel
e
ase-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Remov
e
suppor
t
for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Stop testing ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark Ab
r
aham
Fix that
t
es
t
s intended for
m
ultiple ra
n
k
s run that
w
a
y
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraha
m
Simplif
y
g
mxapi RPATH handling
commit
|
commitdiff
|
tree
2019-12-12
Mark Ab
r
a
ham
M
erge "Merge branch 'origin
/
release-202
0
' into m
a
ster"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Document DOMAIND
E
COMP(cr) corre
c
tly
commit
|
commitdiff
|
tree
2019-12-10
M
a
rk Abraham
Simplify
gm
x
a
p
i
RPAT
H
han
d
ling
commit
|
commitdiff
|
tree
2019-12-06
Mark Abra
h
am
Avoid 386 O3 codegen bug
commit
|
commitdiff
|
tree
2019-12-06
M
ark Abraham
Provide more feedbac
k
when listed
f
or
c
es
t
ests fail
commit
|
commitdiff
|
tree
2019-12-04
Mark Abr
a
ham
Added OpenCL
b
uild to release matr
i
x
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
R
e
moved unne
c
e
s
sary link_dir
e
ctories com
m
and for g
t
est
commit
|
commitdiff
|
tree
2019-12-01
M
a
rk Abraham
Further im
p
rove taskassignment exce
p
t
ion handling
commit
|
commitdiff
|
tree
2019-11-29
Mark A
b
ra
h
am
M
e
r
g
e
bra
n
ch rele
a
s
e-2019 into
r
elease-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark
A
braham
Disable GPU PME-PP communication with mdrun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
Ma
r
k Abra
h
am
I
m
prove handling of task-assignment ex
c
eptions
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Rela
x
tolerance for
b
d
t
e
sts
commit
|
commitdiff
|
tree
2019-11-21
Mark Abr
a
ham
Merge branch relea
s
e-
2
020
commit
|
commitdiff
|
tree
2019-11-21
Mark
A
braham
Ne
w
co
o
l
quote
commit
|
commitdiff
|
tree
2019-11-20
Mar
k
Abraha
m
Q
u
iet
u
n
init
i
alized v
a
r
i
able warning with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mar
k
A
b
raham
Updated release notes fo
r
CODATA update
commit
|
commitdiff
|
tree
2019-11-16
Mark
A
braham
Relax
e
d listed
f
o
r
ces tes
t
tolerances
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Stop testing
t
hat
h
wloc cache-size detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abraham
Tests for valid period
i
c
actions
commit
|
commitdiff
|
tree
2019-10-13
Mark A
b
raham
Ensure
e
nvi
r
onment v
a
ri
a
b
le us
e
doe
s
not
give wa
r
ni
n
g
s
commit
|
commitdiff
|
tree
2019-10-07
M
a
rk Abraham
Extend GPU
t
raits cla
s
s
commit
|
commitdiff
|
tree
next