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
Simplify compiling GPU code for tests
2020-03-06
M
ark Abraham
Simplify
c
ompili
n
g GPU
c
ode for
t
est
s
commit
|
commitdiff
|
tree
2020-03-05
Mark
A
braham
Simplify PME step
workload management
commit
|
commitdiff
|
tree
2020-03-04
Mark
A
bra
h
am
Improve TPI
h
andlin
g
commit
|
commitdiff
|
tree
2020-02-23
Mark Abraham
Removed
unused PME gathe
r
functio
n
ality
commit
|
commitdiff
|
tree
2020-02-18
Mar
k
A
brah
a
m
Added more docs and tests
to Enum
e
rationArray
commit
|
commitdiff
|
tree
2020-01-27
Mark A
b
r
aham
Update some nbnxm ke
r
nel constants to const
e
xp
r
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Remove e
l
eme
n
t-size
member
f
ields
commit
|
commitdiff
|
tree
2020-01-27
M
a
r
k Abraham
Make NbnxnG
p
u class with
co
n
st
r
ucto
r
commit
|
commitdiff
|
tree
2020-01-17
M
a
r
k
Abraham
Regularize n
b
nx
m
mod
u
le doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark
Ab
r
aham
Make nbnxm headers
more s
e
lf
-
contained
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Clean up ewald modu
l
e internal
s
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Split lin
e
s with ma
n
y
copy
r
ight year
s
commit
|
commitdiff
|
tree
2019-12-31
Mark
Abraham
A
void 386 O3 codegen bug
e
ven
more
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Tests that ver
i
f
y
ser
i
alizer
b
e
h
a
v
i
ou
r
s
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Remove u
s
e of tuple
i
n LINCS code for GPU implem
e
ntati
o
n
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k Abraham
Remov
e
G
MX_CYCLECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Abrah
a
m
Merge "Mer
g
e ori
g
in/release
-
2019 int
o
release
-
2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
M
ark Abraha
m
Remove support for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
b
r
aham
Sto
p
testing ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abraham
Fix that tests i
n
tended for
multiple ra
n
ks run that way
commit
|
commitdiff
|
tree
2019-12-14
M
a
rk Abraham
S
impl
i
fy gmxapi RPATH
handling
commit
|
commitdiff
|
tree
2019-12-12
Mark Abraham
Merge
"
M
e
r
ge bra
n
ch
'
o
r
igin/release-
2
020
'
into master
"
commit
|
commitdiff
|
tree
2019-12-11
Mark Ab
r
aham
Docum
e
nt DOM
A
I
N
DECOMP(cr
)
correct
l
y
commit
|
commitdiff
|
tree
2019-12-10
Mark Abraha
m
Simplify
gm
x
api R
P
ATH hand
l
ing
commit
|
commitdiff
|
tree
2019-12-06
Mark
A
braham
Avoid 386 O3 codegen
b
ug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Provide more feedback when listed forces tests fail
commit
|
commitdiff
|
tree
2019-12-04
Mar
k
Abraham
Added OpenCL build to release
matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Removed unne
c
essary
link_direct
o
ries com
m
an
d
fo
r
gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark A
b
raham
F
ur
t
her improve ta
s
k
a
ssignment exception handli
n
g
commit
|
commitdiff
|
tree
2019-11-29
Mark Abra
h
am
Merge
branch release-2019 into release-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark Abraham
Disable
GPU PM
E
-PP communication with mdr
u
n -pmef
f
t
cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Ab
r
ah
a
m
Impro
v
e handling
o
f task-
a
ssignment e
x
ce
p
tions
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Relax tolerance for bd tests
commit
|
commitdiff
|
tree
2019-11-21
M
ark Abraham
Merg
e
branch release
-
2
020
commit
|
commitdiff
|
tree
2019-11-21
M
a
r
k
Abraham
New co
o
l
q
uote
commit
|
commitdiff
|
tree
2019-11-20
Mark
Abraham
Quiet un
i
niti
a
lized va
r
iable warning with c
l
a
ng 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Updated release notes for CODATA updat
e
commit
|
commitdiff
|
tree
2019-11-16
Ma
r
k
A
braham
R
e
laxed listed f
o
rces t
e
st tolerance
s
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Stop testing that hwloc cache-size d
e
tecti
o
n
works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abraham
Tests fo
r
va
l
id
p
e
riodic actions
commit
|
commitdiff
|
tree
2019-10-13
M
a
r
k Abraham
En
s
ure environment variable use d
o
es not give warnings
commit
|
commitdiff
|
tree
2019-10-07
Ma
r
k A
b
raham
Ext
e
nd GPU t
r
aits class
commit
|
commitdiff
|
tree
2019-10-04
Mark Abraha
m
Fix that
t
e
s
ts
i
ntende
d
for multipl
e
ra
n
ks run that wa
y
commit
|
commitdiff
|
tree
2019-10-02
M
a
rk Abr
a
h
am
Improve PME
testing
commit
|
commitdiff
|
tree
2019-10-01
Mark Abra
h
am
M
o
ve GPU task
a
ssi
g
nment
commit
|
commitdiff
|
tree
2019-10-01
Mark
Abraham
Fix icc warn
i
ngs
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k Abraham
Removed dependency on commre
c
of
m
drun setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraham
Make a buil
d
er for
D
D
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abraham
I
mprove MiMiC test i
m
plementation
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k A
b
raha
m
Stop
c
h
ecking
C
UDA version repor
t
ed by
nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Ab
r
aham
Fix gro file output
with index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Add tests for e
d
itco
n
f file c
o
n
version with in
d
exing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fi
x
gro file output
w
ith
i
n
d
e
x
groups
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Ab
r
aha
m
Remove le
f
tover sup
p
ort for
pre-9
.
0
C
UDA
commit
|
commitdiff
|
tree
2019-09-25
Mark A
b
raham
F
i
x l
o
g
f
ile
f
l
a
g out
p
ut
commit
|
commitdiff
|
tree
2019-09-24
Mark Abr
a
ham
Fix no-M
P
I
C
UDA build
commit
|
commitdiff
|
tree
2019-09-24
M
ark Abraham
Merge "Mer
g
e bra
n
ch relea
s
e-
2
019
i
nto
master"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
F
i
x clang unu
s
ed-
f
uncti
o
n
wa
r
nings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fixes to broken C
U
DA compil
e
r flags
commit
|
commitdiff
|
tree
2019-09-23
Mark Ab
r
aham
Fix 1D-1pulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Abra
h
am
Refa
c
t
o
r to create a GpuTaskAssignments object
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
Use GPU
ha
l
o exchange onl
y
when co
m
pa
t
i
ble D
D
is available
commit
|
commitdiff
|
tree
2019-09-19
Mark
A
br
a
ham
Further im
p
rove ge
t
DD
G
ri
d
Setup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abraham
Av
o
id sh
o
rt-r
a
nge
G
PU
operation
s
with no work
commit
|
commitdiff
|
tree
2019-09-12
M
a
rk
A
b
raham
Disable report-
m
ethods end-to-end test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Make gm
x
_multisim_t a C++ obj
e
c
t
commit
|
commitdiff
|
tree
2019-09-11
M
ark Abraham
Fix multi-sim restar
t
handling in corne
r
ca
s
es
commit
|
commitdiff
|
tree
2019-09-10
Mark Abra
h
am
Avoid warning in no-mpi build
commit
|
commitdiff
|
tree
2019-09-10
M
ark Abraham
U
se more RAII se
m
anti
c
s with t
_
c
o
m
m
rec
commit
|
commitdiff
|
tree
2019-09-06
Ma
r
k Abraham
Clean up commrec uni
f
o
rmly
commit
|
commitdiff
|
tree
2019-09-05
M
ark
Abraham
Update mdrun test comparison infrastruct
u
re
commit
|
commitdiff
|
tree
2019-09-03
M
a
rk Abraham
Simpli
f
y energy-file
comparisons in tests
commit
|
commitdiff
|
tree
2019-09-02
M
ark A
b
rah
a
m
Mov
e
init
i
alization
of
c
lFF
T
commit
|
commitdiff
|
tree
2019-08-30
Mark Abraham
Fix
build matri
c
es
commit
|
commitdiff
|
tree
2019-08-29
Ma
r
k Abraham
More
quo
t
es
commit
|
commitdiff
|
tree
2019-08-28
M
a
rk
A
braham
Fix integration
i
ssues
commit
|
commitdiff
|
tree
2019-08-28
Mar
k
Abraham
Improved
usabil
i
ty of grompp by r
e
jecting more inva
l
id
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Ma
r
k Abraham
Add inte
g
ration tests for ex
a
ct restarts
commit
|
commitdiff
|
tree
2019-08-26
Ma
r
k Abraham
Make FEP rerun tests cover the intende
d
l
a
mbd
a
spa
c
e
commit
|
commitdiff
|
tree
2019-08-26
Mar
k
Abraham
Converted
a CUDA con
f
ig to use c
l
ang
h
o
st-on
l
y comp
i
lati
o
n
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Fix pa
i
rlist bu
g
commit
|
commitdiff
|
tree
2019-08-23
Ma
r
k Abr
a
ha
m
U
p
da
t
e clang-tidy to clan
g
version 8
commit
|
commitdiff
|
tree
2019-08-22
Mark A
b
rah
a
m
Merge branch rel
e
a
se-2019
commit
|
commitdiff
|
tree
2019-08-22
Ma
r
k Abraham
Improve clang-analyzer
b
u
i
ld time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
I
mpr
o
ve organiz
a
tion of
L
INCS r
e
porting
commit
|
commitdiff
|
tree
2019-08-20
M
ark Abraha
m
Apply clang-tidy-8
readability-upp
e
rcase-lite
r
al-
s
uff
i
x
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Use poten
t
ial
-
shift as default
modi
f
ier
commit
|
commitdiff
|
tree
2019-08-20
Mark A
b
raham
Reduc
e
c
osine ac
c
el
e
ration quant
i
ty pro
p
er
l
y
commit
|
commitdiff
|
tree
2019-08-20
Mark Ab
r
aham
Fix
issues
f
o
r clang-anal
y
zer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark A
b
raham
Mod
e
rniz
e
t_ma
t
rix, t_ma
p
ping, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
M
a
rk Abraham
Modernize t_psdata
commit
|
commitdiff
|
tree
2019-08-16
M
ark
A
braham
Update testi
n
g
matr
i
ces and fix war
n
ings
commit
|
commitdiff
|
tree
2019-08-16
M
a
rk Abraham
Move
k
eyvalu
e
t
r
eewriter code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
S
top n
b
nxm/grid
.
h depe
n
d
i
ng on
S
IM
D
mod
u
le
commit
|
commitdiff
|
tree
2019-08-15
M
ark
Abraham
Remove run-
t
im
e
check fr
o
m calc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark A
b
raham
Fix
vv integrators
commit
|
commitdiff
|
tree
2019-08-13
M
a
rk
A
b
r
aham
Rem
o
ve workaroun
d
for b
u
ggy
cmake
commit
|
commitdiff
|
tree
2019-08-13
Mar
k
Abraham
Fix ic
c
19 codegen
i
ssue
commit
|
commitdiff
|
tree
2019-08-12
Ma
r
k Abraham
Quiet w
a
rning
commit
|
commitdiff
|
tree
next