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Fix gmx h2order -d option
2020-09-28
Mark Abraham
Fix c
h
eck for BitScanReverse64
commit
|
commitdiff
|
tree
2020-08-26
Mark
A
braha
m
P
er
m
it build with
C
U
D
A 11
.
0
commit
|
commitdiff
|
tree
2020-08-08
Mark Abraha
m
F
i
x t
y
po in docs
commit
|
commitdiff
|
tree
2020-07-31
Mark A
b
r
a
ham
Relea
s
e configs were
usin
g
a wron
g
build type
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fix compiler flag
reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Baseline commit
commit
|
commitdiff
|
tree
2020-04-25
Mark
Ab
r
a
h
am
Move confi
g
urati
o
n of global head
e
rs
commit
|
commitdiff
|
tree
2020-04-23
Mark Ab
r
aham
Fix warnings for n
o
-mpi build
commit
|
commitdiff
|
tree
2020-04-01
Mark Abraham
F
ix
m
ino
r
bug with tools time-
u
nit con
v
e
r
si
o
ns
commit
|
commitdiff
|
tree
2020-03-30
Mark Abrah
a
m
S
et buffers appropriat
e
ly so
.
xpm f
i
les ca
n
be r
e
ad
.
commit
|
commitdiff
|
tree
2019-12-31
Ma
r
k
Abraham
Avoid 386
O
3 codegen b
u
g
even more
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Tests
that
v
erif
y
serializer
behav
i
ours
commit
|
commitdiff
|
tree
2019-12-30
M
ark A
b
raham
Remove
u
se
of tuple in LI
N
CS code for GPU
i
mplementation
commit
|
commitdiff
|
tree
2019-12-28
M
a
rk Abraham
Merge "Merge origin/release-2019
into release-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-17
M
a
rk Abraham
Fi
x
that tests i
n
te
n
ded for mul
t
iple ranks run
t
hat w
a
y
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
S
i
mplify gmxapi RPATH han
d
ling
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Do
c
ument DOMAINDECOMP(
c
r) correctl
y
commit
|
commitdiff
|
tree
2019-12-10
Mark Abraham
S
i
mplify gmxa
p
i RPATH h
a
ndling
commit
|
commitdiff
|
tree
2019-12-06
Mark Abrah
a
m
Avoid 386 O3 code
g
en bug
commit
|
commitdiff
|
tree
2019-12-06
Mark A
b
ra
h
am
P
r
ovide more f
e
ed
b
ack when liste
d
fo
r
ces
tests fail
commit
|
commitdiff
|
tree
2019-12-04
M
a
rk Abraham
Added Ope
n
CL build
t
o release m
a
t
r
i
x
commit
|
commitdiff
|
tree
2019-12-04
M
a
rk Abraham
Removed
u
nnecess
a
ry link_d
i
rectories
command
for gt
e
st
commit
|
commitdiff
|
tree
2019-12-01
M
a
r
k A
b
raham
Further
improve taskassignme
n
t exception
handling
commit
|
commitdiff
|
tree
2019-11-29
Mark
A
bra
h
am
M
erge branch rel
e
ase-2019
i
nto release-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark Abraham
Disable GPU PME-PP
c
ommu
n
ication
w
ith mdrun -pmef
f
t cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraha
m
Improve
h
andli
n
g of
task-assignment exc
e
ptio
n
s
commit
|
commitdiff
|
tree
2019-11-26
Mark
Abraham
Rela
x
tolerance for b
d
tests
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
Ne
w
co
o
l quote
commit
|
commitdiff
|
tree
2019-11-20
Ma
r
k Abraham
Q
uiet un
i
nitialized variable warning wi
t
h
c
lang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Upd
a
ted release notes
for CODATA u
p
d
a
t
e
commit
|
commitdiff
|
tree
2019-11-16
M
a
r
k Abra
h
am
Relaxed
listed forces te
s
t
tolerances
commit
|
commitdiff
|
tree
2019-11-16
Mark A
b
raham
Stop
testing that hwloc cache-size d
e
tection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
M
a
rk Abraha
m
Tests
f
o
r va
l
id p
e
r
i
odic a
c
tions
commit
|
commitdiff
|
tree
2019-10-13
M
a
rk Abraham
Ensur
e
enviro
n
ment var
i
able use
does no
t
g
ive warnings
commit
|
commitdiff
|
tree
2019-10-07
M
ark Abrah
a
m
Extend
GPU tra
i
ts class
commit
|
commitdiff
|
tree
2019-10-04
Mark
Abraham
Fix that test
s
intend
e
d for multiple
r
anks r
u
n t
h
a
t
way
commit
|
commitdiff
|
tree
2019-10-02
Mark A
b
raham
Impr
o
ve PME testing
commit
|
commitdiff
|
tree
2019-10-01
Mar
k
Abrah
a
m
Move GPU task assignment
commit
|
commitdiff
|
tree
2019-10-01
Mar
k
Abraham
F
ix icc wa
r
ni
n
gs
commit
|
commitdiff
|
tree
2019-10-01
Mark A
b
raham
Removed dependency o
n
commre
c
of mdrun
setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abra
h
am
M
ake a builde
r
for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Improve MiMiC tes
t
i
mplement
a
t
ion
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Abraham
Stop checking CUDA versi
o
n reported
by n
v
cc
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraham
Fix
gro file output with
inde
x
groups
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraham
Ad
d
test
s
for editconf file
c
onversion wi
t
h
i
n
d
e
x
ing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro
f
ile output with index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Ab
r
aham
Remo
v
e le
f
tover support for pre
-
9
.
0
CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abraham
F
i
x
log
file flag out
p
ut
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k
Abraham
Fix no
-
M
P
I C
U
DA build
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k
A
braha
m
Merge "Merge branch rel
e
ase-20
1
9
i
nto m
a
ste
r
"
commit
|
commitdiff
|
tree
2019-09-24
M
a
rk Abraham
Fix clan
g
u
nuse
d
-function w
a
r
nings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
F
i
xes to b
r
oken C
U
DA compiler f
l
ags
commit
|
commitdiff
|
tree
2019-09-23
Ma
r
k Abraham
Fix
1
D-1pulse s
u
ppor
t
commit
|
commitdiff
|
tree
2019-09-20
Mark Ab
r
a
ham
R
efacto
r
to create a Gp
u
T
askAssignments object
commit
|
commitdiff
|
tree
2019-09-19
Mark A
b
raham
Use GPU halo exchang
e
only
when compat
i
b
le DD
i
s available
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
Fur
t
her
improve getDDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark
Ab
r
aha
m
A
v
o
i
d
s
h
o
rt-rang
e
GPU operat
i
o
n
s with no work
commit
|
commitdiff
|
tree
2019-09-12
Mark
Abr
a
ham
Di
s
abl
e
report
-
m
e
t
hods
e
nd-t
o
-
e
nd test
commit
|
commitdiff
|
tree
2019-09-11
Mar
k
Ab
r
aham
Mak
e
gmx_multis
i
m_t a C
+
+ ob
j
e
ct
commit
|
commitdiff
|
tree
2019-09-11
M
ark Abraham
Fix multi-
s
im restart han
d
ling in corner cases
commit
|
commitdiff
|
tree
2019-09-10
M
ark Abraham
Avoid warning in no-mpi
b
uild
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Us
e
more
RAII semantics
w
ith t_c
o
mmrec
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
C
lean up commr
e
c uniformly
commit
|
commitdiff
|
tree
2019-09-05
Mark
A
brah
a
m
U
pdate mdrun test comparison infrastructure
commit
|
commitdiff
|
tree
2019-09-03
Mark Abrah
a
m
Simplify e
n
erg
y
-f
i
le com
p
aris
o
ns
i
n tests
commit
|
commitdiff
|
tree
2019-09-02
Mark A
b
raha
m
Move initialization
o
f clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark Abra
h
am
Fix build matrices
commit
|
commitdiff
|
tree
2019-08-29
Mark Abrah
a
m
More quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark Abra
h
am
F
ix integration i
s
sues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Improv
e
d usabil
i
ty of grompp by rejecting more
invalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
a
rk Abraham
A
d
d inte
g
ra
t
ion tests for exac
t
restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraha
m
Make FEP reru
n
tests cover the
intended lam
b
da spac
e
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Co
n
v
erted a CUDA con
f
ig to
use clan
g
host-
o
n
ly com
p
il
a
tion
commit
|
commitdiff
|
tree
2019-08-26
Ma
r
k Ab
r
aham
Fix
p
a
irlist
b
ug
commit
|
commitdiff
|
tree
2019-08-23
Mark
Abraham
Update clang-tidy to clang version 8
commit
|
commitdiff
|
tree
2019-08-22
Ma
r
k
Abr
a
h
a
m
Merge branch
r
e
lease
-
2
0
19
commit
|
commitdiff
|
tree
2019-08-22
M
ark Abraham
Im
p
rove cl
a
n
g-anal
y
ze
r
bui
l
d time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark
A
bra
h
am
Impr
o
ve
o
rganization of
LINCS reporting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abr
a
ham
Apply clang-
t
idy-8 re
a
da
b
ili
t
y-uppercase-literal-suf
f
ix
commit
|
commitdiff
|
tree
2019-08-20
M
ark
A
braham
Use p
o
tential-shift as d
e
fault modifier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
R
educ
e
cosine acceleration quantity prop
e
rly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Fix issu
e
s fo
r
clan
g
-a
n
alyzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraha
m
Modernize t
_
matr
i
x
, t_ma
p
pi
n
g,
t
_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Abra
h
am
Moder
n
ize t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark Ab
r
aham
Upda
t
e testing
m
a
tri
c
es a
n
d
f
ix
warn
i
n
g
s
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Move keyvaluetreewriter code
commit
|
commitdiff
|
tree
2019-08-16
Ma
r
k A
b
r
aham
S
top
n
bnxm/grid
.
h d
e
pending on SIMD
module
commit
|
commitdiff
|
tree
2019-08-15
Mark Abraham
Remove
r
un
-
tim
e
check from
calc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark Abraham
F
ix vv integra
t
ors
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
R
emove wor
k
a
r
ound
f
o
r bu
g
g
y c
m
ake
commit
|
commitdiff
|
tree
2019-08-13
Mark
Abraham
Fix icc 19 codeg
e
n iss
u
e
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Qu
i
et warning
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
F
ix ocl_ker
n
el target
commit
|
commitdiff
|
tree
2019-08-08
Mark Ab
r
aham
Fix estimate of the siz
e
o
f
a j list
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Init
i
alize gmx_ekindata_
t
and t
_
vcm
p
roperly
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Stop
testing I
C
C on Windows
commit
|
commitdiff
|
tree
2019-08-06
M
a
rk Abraham
Fi
x
for M
S
VC+CUDA
commit
|
commitdiff
|
tree
2019-08-05
M
a
r
k Abraham
Add quote
commit
|
commitdiff
|
tree
2019-08-05
Mark
A
braham
Remove libgromacs_generated con
t
r
i
but
i
ons from Fi
n
dCU
D
A
.
.
.
commit
|
commitdiff
|
tree
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