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
grompp: fix the -ref <file> option
2020-03-09
Mark Abraham
Consol
i
date PME GPU spline infrastructure
commit
|
commitdiff
|
tree
2020-03-06
Mark Abraham
Simplify com
p
iling GPU code for te
s
ts
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Sim
p
lif
y
P
M
E step worklo
a
d m
a
nagement
commit
|
commitdiff
|
tree
2020-03-04
M
ark Abraham
Improv
e
TPI handling
commit
|
commitdiff
|
tree
2020-02-23
Mark Abraha
m
Remo
v
ed unused PME ga
t
her fun
c
tionality
commit
|
commitdiff
|
tree
2020-02-18
Mark Abra
h
am
Ad
d
ed m
o
r
e docs and tests to Enumeratio
n
Arr
a
y
commit
|
commitdiff
|
tree
2020-01-27
Mark Abra
h
am
Update some nbn
x
m kernel constants to constexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abr
a
ham
R
e
move element-size member f
i
elds
commit
|
commitdiff
|
tree
2020-01-27
Mark Abrah
a
m
Make NbnxnGpu class with co
n
structor
commit
|
commitdiff
|
tree
2020-01-17
M
a
rk Abraham
Regularize nbnxm module doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Ab
r
aham
Ma
k
e nbnxm headers mo
r
e self
-
con
t
aine
d
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Clean
u
p ewald module
i
nternal
s
commit
|
commitdiff
|
tree
2020-01-09
M
a
rk Abrah
a
m
S
p
li
t
lines
w
i
th many cop
y
right
y
ear
s
commit
|
commitdiff
|
tree
2019-12-31
Mark Abraham
Avo
i
d 386 O3 co
d
ege
n
b
u
g
ev
e
n more
commit
|
commitdiff
|
tree
2019-12-30
M
a
rk Abraham
Tests that verify ser
i
ali
z
er behaviours
commit
|
commitdiff
|
tree
2019-12-30
M
a
rk Ab
r
aham
Remove u
s
e of tuple
in
L
INCS
code for GPU imp
l
ementation
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraha
m
Rem
o
ve GMX_
C
YCL
E
COUNTERS
commit
|
commitdiff
|
tree
2019-12-28
M
a
r
k Abraham
Merge "Merge or
i
g
i
n/relea
s
e-201
9
i
n
to
r
elease
-
2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abrah
a
m
Remove suppo
r
t
for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
br
a
h
a
m
Stop t
e
stin
g
ARMv7
commit
|
commitdiff
|
tree
2019-12-17
M
a
rk Abraham
Fix that
t
e
s
t
s intended for multip
l
e ranks
run t
h
a
t way
commit
|
commitdiff
|
tree
2019-12-14
Mar
k
Abraham
S
i
mplify
g
mxapi RPATH handling
commit
|
commitdiff
|
tree
2019-12-12
Ma
r
k Abraham
Merge "Merge b
r
anch 'origin
/
releas
e
-2020' into master"
commit
|
commitdiff
|
tree
2019-12-11
Ma
r
k Abraham
Document
D
OMAINDECOMP
(
cr)
c
orrectly
commit
|
commitdiff
|
tree
2019-12-10
Mark Abr
a
ham
Simplify gmxapi RPA
T
H handling
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Avoid 386 O3 c
o
d
e
g
e
n bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
P
rov
i
de more
f
eedback when liste
d
f
o
r
ces tests fail
commit
|
commitdiff
|
tree
2019-12-04
M
ark Abraham
A
d
d
e
d
Op
e
nCL b
u
ild to
r
elease matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Re
m
oved unne
c
essary link
_
directo
r
i
e
s
c
ommand for gt
e
st
commit
|
commitdiff
|
tree
2019-12-01
Mark Ab
r
a
h
a
m
Fur
t
her i
m
p
rove taskassignment
exception
handling
commit
|
commitdiff
|
tree
2019-11-29
Mark
Abraham
Mer
g
e b
r
anch re
l
ea
s
e-2019 int
o
rel
e
ase-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark Abr
a
ham
Disable GPU
PM
E
-
PP communication wi
t
h mdrun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark
Abraham
Improv
e
ha
n
dling of tas
k
-
as
s
ignme
n
t exceptio
n
s
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Rel
a
x tolerance for bd tests
commit
|
commitdiff
|
tree
2019-11-21
M
a
rk
A
bra
h
am
Mer
g
e
b
ra
n
ch relea
s
e-
2
020
commit
|
commitdiff
|
tree
2019-11-21
Mark Abr
a
ham
New cool quote
commit
|
commitdiff
|
tree
2019-11-20
Mark Ab
r
a
h
am
Quiet uninit
i
alized varia
b
le warning with cl
a
ng 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Update
d
re
l
ease notes for CODATA
update
commit
|
commitdiff
|
tree
2019-11-16
M
a
r
k
Abraham
Relaxed listed
forc
e
s test tol
e
ran
c
es
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Stop tes
t
ing that hwlo
c
cache-size detec
t
io
n
w
o
r
k
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mar
k
A
b
r
a
ham
Tests for valid p
e
riodi
c
acti
o
ns
commit
|
commitdiff
|
tree
2019-10-13
Mark Abrah
a
m
Ensure
envi
r
onment vari
a
ble use
does not give warnings
commit
|
commitdiff
|
tree
2019-10-07
Mar
k
A
b
r
a
ham
E
x
t
end GPU traits class
commit
|
commitdiff
|
tree
2019-10-04
Mark
Abraham
Fix that tests
i
ntended
for
m
u
l
t
ipl
e
ranks run
that way
commit
|
commitdiff
|
tree
2019-10-02
M
a
rk Ab
r
aham
Improve
PME te
s
ting
commit
|
commitdiff
|
tree
2019-10-01
Mark
A
braham
Move
GPU ta
s
k assignment
commit
|
commitdiff
|
tree
2019-10-01
M
ark Abraham
Fix icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Re
m
oved
d
ependency
o
n comm
r
ec
o
f
mdru
n
setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraha
m
Make a builder
for
DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
I
m
prov
e
MiMiC
t
est
implementation
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Abraham
Stop checking CUDA
v
ersion re
p
orted by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro fi
l
e outp
u
t
with index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Ad
d
tests fo
r
editconf fil
e
convers
i
on with indexing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro file
o
ut
p
u
t with index
groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
R
e
m
ove lef
t
o
ver support
for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abraha
m
Fi
x
log file
flag output
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
F
i
x no-MPI
CUDA build
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k Abraham
Merg
e
"Merge bran
c
h
r
elease-
2
0
19 i
n
to master"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
F
ix clang
unused-functi
o
n warn
i
ngs
commit
|
commitdiff
|
tree
2019-09-23
Mark Ab
r
aha
m
Fi
x
es to broken CUDA
compil
e
r fl
a
gs
commit
|
commitdiff
|
tree
2019-09-23
Mark
A
braham
Fix 1D
-
1pulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Abraham
Refact
o
r to creat
e
a Gpu
T
askA
s
signm
e
nts object
commit
|
commitdiff
|
tree
2019-09-19
Mark
A
braham
U
s
e GPU
ha
l
o e
x
change only when co
m
p
a
t
ible DD is
a
vailabl
e
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
Abrah
a
m
F
urther improve getDDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abraham
Avoid
s
hort-ran
g
e
GPU opera
t
ion
s
with no work
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraham
Disable report-m
e
thod
s
end-
t
o-end test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Make gmx_
m
ultisim_t a C++ object
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Fix multi-sim restart handl
i
ng in corn
e
r cases
commit
|
commitdiff
|
tree
2019-09-10
Mark A
b
rah
a
m
Avoid warning
i
n no-mpi
buil
d
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
U
s
e mo
r
e RAI
I
se
m
a
n
t
i
c
s
with
t_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mark
A
brah
a
m
Cl
e
a
n up
c
ommrec unif
o
rmly
commit
|
commitdiff
|
tree
2019-09-05
Mar
k
Abraham
Up
d
a
t
e m
d
run test
c
ompari
s
on infras
t
ructure
commit
|
commitdiff
|
tree
2019-09-03
Mark Abra
h
am
S
i
mplify energy-file compa
r
isons in tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Move initialization of
c
l
FFT
commit
|
commitdiff
|
tree
2019-08-30
Ma
r
k Abraham
F
ix build matrices
commit
|
commitdiff
|
tree
2019-08-29
Mark A
b
r
aham
More quotes
commit
|
commitdiff
|
tree
2019-08-28
Ma
r
k Abra
h
am
Fix
integration
issues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Impr
o
v
ed usability of
grompp by r
e
jecting
m
ore inval
i
d
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark Abraham
Add integration
t
est
s
fo
r
exact resta
r
ts
commit
|
commitdiff
|
tree
2019-08-26
M
a
rk Abraham
Make
FEP rerun t
e
sts cover the in
t
ended lambda space
commit
|
commitdiff
|
tree
2019-08-26
Mark
Abra
h
am
Convert
e
d
a CUDA config
t
o use cla
n
g host-on
l
y compilatio
n
commit
|
commitdiff
|
tree
2019-08-26
Mark A
b
rah
a
m
Fix p
a
irlist
bug
commit
|
commitdiff
|
tree
2019-08-23
Mark
A
braham
U
p
date clang-tidy
t
o clan
g
vers
i
o
n 8
commit
|
commitdiff
|
tree
2019-08-22
Mark Abr
a
ham
Merge
branch rel
e
ase-2019
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
Abra
h
am
Improve clan
g
-an
a
l
y
z
e
r
build
t
ime
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
A
b
raham
Fix r
e
leas
e
matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
I
mpro
v
e organization of LINCS
r
epo
r
ting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Apply clang-tidy-8
r
e
adability-up
p
ercase-literal-s
u
f
fix
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Use
potential-sh
i
ft as defa
u
lt modif
i
e
r
commit
|
commitdiff
|
tree
2019-08-20
Mark Abra
h
am
Reduce cosine acceleration qu
a
ntity prope
r
ly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Fix issues for clang-analyze
r
-8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abra
h
am
Mod
e
r
n
ize t_matrix
,
t
_
mapping
,
t
_
r
gb
commit
|
commitdiff
|
tree
2019-08-19
Ma
r
k Abraham
Modern
i
ze t
_
psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraha
m
Update
t
est
i
ng ma
t
ric
e
s an
d
fix warnings
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Move keyvaluetreewriter code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Stop
n
bnxm/gr
i
d
.
h de
p
en
d
ing o
n
SIMD modul
e
commit
|
commitdiff
|
tree
2019-08-15
Mark
Abraham
Re
m
ove run-time
check from calc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mar
k
A
b
raha
m
Fix vv integrator
s
commit
|
commitdiff
|
tree
2019-08-13
Mark Abr
a
ham
Re
m
ove workaroun
d
for buggy cmake
commit
|
commitdiff
|
tree
2019-08-13
M
ar
k
A
b
ra
h
am
Fix
i
cc
1
9 cod
e
gen
i
ssu
e
commit
|
commitdiff
|
tree
next