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Improve TPI handling
2020-03-04
Mark Abraham
I
mprove
T
PI
handl
i
ng
commit
|
commitdiff
|
tree
2020-02-23
Mark Ab
r
a
h
a
m
Removed un
u
se
d
PME gather functiona
l
ity
commit
|
commitdiff
|
tree
2020-02-18
Mark Ab
r
aham
Added mor
e
doc
s
and tests to EnumerationA
r
ray
commit
|
commitdiff
|
tree
2020-01-27
Mar
k
A
b
raham
U
pda
t
e some nbnxm kernel constants to constexpr
commit
|
commitdiff
|
tree
2020-01-27
Ma
r
k
A
b
r
aham
Remo
v
e
element-size memb
e
r fi
e
lds
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Make NbnxnGpu class with cons
t
ructor
commit
|
commitdiff
|
tree
2020-01-17
M
a
rk Ab
r
a
h
am
R
e
gularize nbn
x
m mo
d
ule doxygen
commit
|
commitdiff
|
tree
2020-01-16
Ma
r
k Abraha
m
Ma
k
e nb
n
xm
h
e
a
ders more
self-contain
e
d
commit
|
commitdiff
|
tree
2020-01-09
Mar
k
Abr
a
ham
Clean up ew
a
ld modul
e
in
t
ernals
commit
|
commitdiff
|
tree
2020-01-09
M
a
r
k
Abraham
Spl
i
t lines with
many
c
opyright years
commit
|
commitdiff
|
tree
2019-12-31
Mar
k
Abraham
Avoid 386
O
3 co
d
e
ge
n
bu
g
eve
n
m
ore
commit
|
commitdiff
|
tree
2019-12-30
M
ark
A
br
a
h
am
Tests
t
hat verif
y
serializer
b
ehaviours
commit
|
commitdiff
|
tree
2019-12-30
M
ar
k
Abra
h
am
Rem
o
v
e use of tup
l
e i
n
LINCS
c
o
de for
G
P
U i
m
plementation
commit
|
commitdiff
|
tree
2019-12-28
M
a
rk Abraham
Remove G
M
X
_CYCL
E
COUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Merge "Me
r
ge or
i
gi
n
/relea
s
e
-2019 into r
e
le
a
se-
2
020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abrah
a
m
R
emo
v
e suppor
t
for ARM
v
7
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
braham
Stop testing A
R
Mv7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abraham
Fix that tests intended for mu
l
tiple rank
s
run that way
commit
|
commitdiff
|
tree
2019-12-14
Mark
A
b
raham
S
implify gmxapi RPATH
handl
i
ng
commit
|
commitdiff
|
tree
2019-12-12
Mark Ab
r
aham
Me
r
ge "Merge branch 'ori
g
in/release-2
0
20' i
n
to master
"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Document DOMAINDECOMP(
c
r) correctly
commit
|
commitdiff
|
tree
2019-12-10
M
ark Abraha
m
S
i
mplify
g
m
x
api RPATH
h
a
n
dling
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Avoid 386 O3 code
g
en bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Pr
o
vide more feedback
whe
n
listed forces te
s
ts fail
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Added OpenCL
b
uild to r
e
lease mat
r
ix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Remove
d
unnecessary link
_
directori
e
s command for gtest
commit
|
commitdiff
|
tree
2019-12-01
M
a
rk Abraham
F
u
rther improv
e
taskassignment e
x
ceptio
n
h
andling
commit
|
commitdiff
|
tree
2019-11-29
M
a
rk Ab
r
aham
Merge branch
release-2019 into release-2020
commit
|
commitdiff
|
tree
2019-11-27
Ma
r
k
Ab
r
aham
Di
s
abl
e
G
PU PME-
P
P
communication with
md
r
un -p
m
efft cpu
commit
|
commitdiff
|
tree
2019-11-26
M
a
rk Abraham
Improve handling of ta
s
k-ass
i
g
nment ex
c
e
p
tions
commit
|
commitdiff
|
tree
2019-11-26
M
a
rk Abraha
m
Relax
t
o
lerance for bd t
e
sts
commit
|
commitdiff
|
tree
2019-11-21
Mar
k
Abraham
Merge br
a
nch rel
e
ase-2
0
20
commit
|
commitdiff
|
tree
2019-11-21
Mark Ab
r
a
h
am
N
ew cool quote
commit
|
commitdiff
|
tree
2019-11-20
Mark Abraham
Quiet uninitialize
d
variable war
n
in
g
with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mar
k
Abraham
Updated release no
t
es for
C
ODATA upd
a
te
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Relaxed l
i
s
ted
f
orc
e
s test tolera
n
ces
commit
|
commitdiff
|
tree
2019-11-16
Mark Abrah
a
m
S
t
op test
i
ng that hwloc
cache-size detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark
A
b
raham
Tests for
val
i
d periodic
a
c
t
ions
commit
|
commitdiff
|
tree
2019-10-13
Mark Abraha
m
Ensure
e
nvironmen
t
variable use does
not gi
v
e wa
r
n
ings
commit
|
commitdiff
|
tree
2019-10-07
Mark Abraham
Extend GPU traits c
l
ass
commit
|
commitdiff
|
tree
2019-10-04
Mark Abr
a
ham
F
i
x that
tests intended for
mult
i
ple rank
s
run th
a
t way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
Improve P
M
E test
i
ng
commit
|
commitdiff
|
tree
2019-10-01
Mark Abr
a
ham
M
o
ve
GPU task
assign
m
ent
commit
|
commitdiff
|
tree
2019-10-01
M
a
r
k Abraham
Fix
i
cc wa
r
nin
g
s
commit
|
commitdiff
|
tree
2019-10-01
Mark
Abraham
R
e
moved dep
e
ndency on co
m
mrec of mdrun
s
etup
commit
|
commitdiff
|
tree
2019-09-30
Mark Ab
r
a
h
am
M
a
ke a builder f
o
r
D
D
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
I
mp
r
o
v
e M
i
MiC
test i
m
plementation
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
S
top checking CUD
A
v
ersion re
p
orted by n
v
cc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abra
h
am
F
i
x gro file out
p
ut w
i
t
h
index
grou
p
s
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Add
t
ests for e
d
itconf f
i
l
e
conver
s
ion with i
n
dexing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix
g
ro file ou
t
put with
index group
s
commit
|
commitdiff
|
tree
2019-09-27
Mark Ab
r
a
h
am
Re
m
ove
l
eftover sup
p
ort f
o
r
pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mar
k
Abr
a
ham
Fix
l
og file flag o
u
tput
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix no-MPI
CUDA
build
commit
|
commitdiff
|
tree
2019-09-24
M
a
r
k
Abraham
M
e
r
g
e
"Merge
branch release-2
0
19 into ma
s
ter"
commit
|
commitdiff
|
tree
2019-09-24
M
ark
A
braham
Fix clang un
u
sed
-
f
unction warnin
g
s
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fixes t
o
bro
k
en CUDA
c
ompiler fla
g
s
commit
|
commitdiff
|
tree
2019-09-23
Mark
A
braham
Fix 1D-1p
u
lse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Abraham
Refactor
t
o cr
e
at
e
a Gpu
T
askAss
i
gnments object
commit
|
commitdiff
|
tree
2019-09-19
Mark Ab
r
aham
Use
G
PU halo exchange
o
nly when compatible DD
i
s available
commit
|
commitdiff
|
tree
2019-09-19
Mark Abra
h
a
m
Furt
h
e
r
impro
v
e getDDGrid
S
etup
commit
|
commitdiff
|
tree
2019-09-16
Mar
k
A
b
raham
A
v
o
id
s
hort-range
GPU operation
s
w
i
t
h no work
commit
|
commitdiff
|
tree
2019-09-12
M
ark A
b
r
a
ham
Disable
report-meth
o
d
s end-
t
o-en
d
test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Make gmx_multisim_t a C++ o
b
ject
commit
|
commitdiff
|
tree
2019-09-11
Mar
k
A
b
r
aham
Fix multi-sim
re
s
tart
handling in
c
orner cases
commit
|
commitdiff
|
tree
2019-09-10
M
a
rk Abraham
Avoid warning in no-mpi build
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use m
o
re RA
I
I s
e
mantics with t_commr
e
c
commit
|
commitdiff
|
tree
2019-09-06
M
ark
Abrah
a
m
Clean up commrec uniforml
y
commit
|
commitdiff
|
tree
2019-09-05
Mark Abraham
Update mdrun t
e
st comparison inf
r
astructure
commit
|
commitdiff
|
tree
2019-09-03
M
a
rk
Abraha
m
Simplify energy-file
c
omparisons
i
n t
e
sts
commit
|
commitdiff
|
tree
2019-09-02
Mark
A
bra
h
a
m
Move
i
nit
i
alization of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark Abraham
Fix build
m
atrices
commit
|
commitdiff
|
tree
2019-08-29
Mark Abraham
Mor
e
quot
e
s
commit
|
commitdiff
|
tree
2019-08-28
M
a
rk Abrah
a
m
Fix integration is
s
ues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abra
h
am
Improved usab
i
l
ity of gro
m
pp
b
y
rejecti
n
g more
i
n
valid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark
A
br
a
ham
A
dd integration tests for exact
restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Ab
r
aham
M
a
ke FEP rerun tests cover the intende
d
lambda
space
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Conve
r
ted
a
CUDA
confi
g
to use clang host-
o
nly
compilation
commit
|
commitdiff
|
tree
2019-08-26
Mark Abrah
a
m
Fix pair
l
ist
b
ug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
Update c
l
ang-tidy to clang
v
ersion 8
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Merge branch release-2019
commit
|
commitdiff
|
tree
2019-08-22
Mark
Abraham
I
m
p
r
ov
e
c
l
a
n
g-analyz
e
r
b
uil
d
time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abra
h
am
Fix re
l
ease matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abr
a
ham
Improve organization
o
f LINCS reporting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Apply clang-
t
idy-8
r
eada
b
ility-uppercase-literal-suf
f
ix
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
U
s
e pot
e
ntial-shift as
default modif
i
er
commit
|
commitdiff
|
tree
2019-08-20
Mark
Ab
r
aham
Re
d
uce
c
osine accelerat
i
on
quantity properly
commit
|
commitdiff
|
tree
2019-08-20
M
a
r
k Abraham
Fix issue
s
for cl
a
ng-analyzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
Modernize t
_
matrix, t_map
p
ing, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark
Abraham
Moder
n
ize t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark Abra
h
am
Update te
s
ting matr
i
ces and
fix w
a
r
nings
commit
|
commitdiff
|
tree
2019-08-16
Ma
r
k Abraham
Mo
v
e keyva
l
uetr
e
ewriter c
o
de
commit
|
commitdiff
|
tree
2019-08-16
M
a
rk
Abraham
Stop nbnxm/g
r
id
.
h
depending on
S
I
MD module
commit
|
commitdiff
|
tree
2019-08-15
Mark Abraham
Remov
e
run-time check from calc
_
shif
t
s
commit
|
commitdiff
|
tree
2019-08-14
M
ark Ab
r
aha
m
Fix vv integ
r
ators
commit
|
commitdiff
|
tree
2019-08-13
Ma
r
k Abraham
Remove wo
r
k
a
round for buggy cmake
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Fix ic
c
19 codegen iss
u
e
commit
|
commitdiff
|
tree
2019-08-12
M
a
rk
A
braham
Quiet warning
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Fix ocl_kernel targe
t
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
F
ix estimate of t
h
e
si
z
e of a j list
commit
|
commitdiff
|
tree
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