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Fix atomics configure test
2020-06-01
Mark
A
braham
F
i
x atomics
c
onfig
u
re te
s
t
commit
|
commitdiff
|
tree
2020-05-29
Mark
A
braham
Ma
k
e
Cygwin buil
d
work
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraha
m
Remov
e
bund
l
ed
FindCUDA
.
cm
a
ke
commit
|
commitdiff
|
tree
2020-04-30
Mark
A
braham
Fix comp
i
ler flag
reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Update cmak
e
ve
r
sion for docs co
n
tainer
commit
|
commitdiff
|
tree
2020-04-29
Mark Abr
a
ham
Baselin
e
commit
commit
|
commitdiff
|
tree
2020-04-29
M
a
rk A
b
raham
Fixed several clang-tidy issues
commit
|
commitdiff
|
tree
2020-04-27
Mark Abraham
Improved s
o
me logic in do_force
commit
|
commitdiff
|
tree
2020-04-25
Mark Abr
a
ham
Move config
u
rati
o
n of global he
a
ders
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Ma
r
k HWLOC cmake cache
v
ariable as advanc
e
d
commit
|
commitdiff
|
tree
2020-04-23
M
a
rk Abra
h
am
Fix warnings for n
o
-mpi buil
d
commit
|
commitdiff
|
tree
2020-04-21
Mark Abraham
Fix warni
n
gs with clan
g
9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abr
a
ham
Introdu
c
e
G
MX_USE_SIMD_KERNEL
S
c
make option
commit
|
commitdiff
|
tree
2020-04-14
Mark Abraham
F
i
x more cl
a
n
g warn
i
n
g
s
commit
|
commitdiff
|
tree
2020-04-13
M
a
rk Abraham
Fi
x
warnings
f
or no-mpi
build
commit
|
commitdiff
|
tree
2020-04-12
M
a
rk Abra
h
am
Removed unu
s
e
d
variable in force tab
l
e gener
a
tion
commit
|
commitdiff
|
tree
2020-04-12
Mark Abrah
a
m
Fi
n
ish removin
g
ENCAD shifts
a
nd table
ge
n
e
r
ation
commit
|
commitdiff
|
tree
2020-04-12
Mark Abrah
a
m
U
pda
t
e to clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Ma
r
k Abraham
F
ixes
f
o
r
clan
g
-tidy-9
commit
|
commitdiff
|
tree
2020-04-07
Mark
A
bra
h
am
Re
p
la
c
e EnumOpti
o
n with Enumerat
i
onAr
r
ayOpt
i
on
commit
|
commitdiff
|
tree
2020-04-01
M
a
rk
Abraha
m
Fix minor bug
with t
o
ols ti
m
e-unit conve
r
s
i
ons
commit
|
commitdiff
|
tree
2020-03-30
M
ark Abraham
Set
b
uffers a
p
propriately so
.
x
p
m
files can be
read
.
commit
|
commitdiff
|
tree
2020-03-18
Mark Abraham
F
ix u
n
used
v
aria
b
le i
n
PM
E
OpenCL kernel
commit
|
commitdiff
|
tree
2020-03-18
M
ark Abraham
Simplify PME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark
A
braham
M
o
v
e
t
e
s
ting code to
t
est director
y
commit
|
commitdiff
|
tree
2020-03-13
Mar
k
Abr
a
ha
m
Requi
r
e padded atom data for
P
ME GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark Abraha
m
Conso
l
idate PME GPU spline
i
nfrastructure
commit
|
commitdiff
|
tree
2020-03-06
Mark
Abrah
a
m
Simplif
y
compiling
GPU cod
e
for tests
commit
|
commitdiff
|
tree
2020-03-05
Mark Abr
a
h
am
Simplify PME step workload mana
g
ement
commit
|
commitdiff
|
tree
2020-03-04
Mark A
b
raham
Imp
r
ove TPI handling
commit
|
commitdiff
|
tree
2020-02-23
M
a
rk Abrah
a
m
R
e
moved unused PM
E
gather
functionali
t
y
commit
|
commitdiff
|
tree
2020-02-18
Mark
Abraham
A
d
d
e
d more docs and tests
to Enume
r
ationAr
r
ay
commit
|
commitdiff
|
tree
2020-01-27
M
a
rk Abraham
Up
d
ate
s
ome nbnxm ker
n
el con
s
tants
to co
n
s
te
x
pr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abrah
a
m
Remove eleme
n
t-size member fields
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Ma
k
e NbnxnGp
u
class with
c
o
n
s
tructor
commit
|
commitdiff
|
tree
2020-01-17
Mark Ab
r
ah
a
m
Regularize nbnxm module doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mar
k
Abraham
Make nbnxm heade
r
s
mo
r
e
self-
c
ont
a
ined
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Clean up e
w
a
l
d module in
t
ern
a
ls
commit
|
commitdiff
|
tree
2020-01-09
Mark Abr
a
ham
S
plit lines
with man
y
c
o
pyright years
commit
|
commitdiff
|
tree
2019-12-31
Mark Abraham
Av
o
i
d 386 O3
codege
n
bug even mor
e
commit
|
commitdiff
|
tree
2019-12-30
Mark Abr
a
ham
Tests that verify serialize
r
behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mark
Abraham
Remove use of
t
uple in LINCS
c
o
d
e for GPU implementa
t
ion
commit
|
commitdiff
|
tree
2019-12-28
M
ark Abr
a
ham
Remove GMX_CY
C
LECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Merge "Merge origin/rel
e
ase-2019 into relea
s
e-
2
020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abra
h
am
Remove support for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
b
raham
Stop t
e
sting ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abraham
Fix th
a
t te
s
t
s intend
e
d fo
r
mu
l
tiple ranks run that way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Simplify
g
m
x
api RPATH
handling
commit
|
commitdiff
|
tree
2019-12-12
Mark Ab
r
aham
M
e
rge "Merge
branch 'origin
/
r
e
lease-2020' into master"
commit
|
commitdiff
|
tree
2019-12-11
Ma
r
k Abraham
Docum
e
nt
D
OMAIN
D
ECOMP(cr) co
r
rectly
commit
|
commitdiff
|
tree
2019-12-10
Mar
k
Abraham
Simplify gmxapi RP
A
TH handling
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk
A
b
r
a
ham
A
void 386 O3 codegen bug
commit
|
commitdiff
|
tree
2019-12-06
Mar
k
Abrah
a
m
Provide more feedb
a
ck w
h
e
n
li
s
ted forces t
e
s
t
s fa
i
l
commit
|
commitdiff
|
tree
2019-12-04
Mark Ab
r
aham
Added OpenCL build to re
l
ease matri
x
commit
|
commitdiff
|
tree
2019-12-04
Ma
r
k
Abrah
a
m
Removed unnecessary link_
d
irectori
e
s command f
o
r gte
s
t
commit
|
commitdiff
|
tree
2019-12-01
Mark
A
braham
F
u
rther
improve taskas
s
ignment
e
xceptio
n
handling
commit
|
commitdiff
|
tree
2019-11-29
M
ark Abraham
Merge branch release-2019 into release-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark Abraham
D
isable GPU PME-PP communication wit
h
mdrun -pmefft
c
pu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Improve handling of task
-
a
s
signment exc
e
ptions
commit
|
commitdiff
|
tree
2019-11-26
Mark Abr
a
h
a
m
Relax toler
a
nc
e
for bd tests
commit
|
commitdiff
|
tree
2019-11-21
M
ark Abraha
m
Merge bran
c
h
releas
e
-2
0
20
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
New cool q
u
ote
commit
|
commitdiff
|
tree
2019-11-20
M
a
rk A
b
raham
Quie
t
u
n
initialized variable warning with
clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abr
a
h
a
m
U
pda
t
ed
r
elease
n
otes
for CODATA update
commit
|
commitdiff
|
tree
2019-11-16
M
a
rk Abraham
Relaxe
d
lis
t
ed forces test tolerances
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Stop testing that hwloc
c
ache-
s
ize detect
i
on w
o
rks
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abraham
T
e
sts
f
o
r
val
i
d
periodic
a
ctions
commit
|
commitdiff
|
tree
2019-10-13
M
ark Abraham
E
ns
u
re environment variable
use does not
give warn
i
n
gs
commit
|
commitdiff
|
tree
2019-10-07
Mar
k
A
b
raham
E
x
t
end GPU traits class
commit
|
commitdiff
|
tree
2019-10-04
Mark
A
braham
Fix that
t
ests int
e
nded for m
u
l
t
ip
l
e rank
s
run
t
ha
t
w
ay
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
I
m
prove PME testing
commit
|
commitdiff
|
tree
2019-10-01
M
a
r
k Abraham
Move GP
U
t
a
sk assignment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abr
a
h
a
m
Fix
icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k
Abraham
Removed depend
e
ncy on
c
ommrec
of md
r
un setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraham
Make a
builder for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraham
Improv
e
M
iMiC test im
p
leme
n
t
a
t
ion
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraham
St
o
p c
h
e
cking CUDA v
e
r
s
i
on repor
t
ed by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraham
Fix gro
f
ile output with index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
br
a
ham
Add tests
f
or editconf file conversion
w
ith indexing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
Fix gro file output with inde
x
g
r
o
u
ps
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abra
h
am
Rem
o
ve leftover support for pre-9
.
0 C
U
DA
commit
|
commitdiff
|
tree
2019-09-25
Mark Ab
r
aham
Fi
x
log
f
i
le flag output
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
Abraha
m
Fix no-MPI
CUDA buil
d
commit
|
commitdiff
|
tree
2019-09-24
M
ark Ab
r
aham
Merge
"
Mer
g
e branch rele
a
se-2019 int
o
mas
t
e
r"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fi
x
c
l
ang unuse
d
-function warnings
commit
|
commitdiff
|
tree
2019-09-23
Mark Ab
r
aham
Fixes to broken
CUDA
c
ompiler
f
l
ags
commit
|
commitdiff
|
tree
2019-09-23
M
a
rk Abraham
Fix 1D-1pulse s
u
pport
commit
|
commitdiff
|
tree
2019-09-20
M
a
rk Abraham
Re
f
actor to crea
t
e a GpuTas
k
Assig
n
ments obj
e
ct
commit
|
commitdiff
|
tree
2019-09-19
Mark Abr
a
ham
Use GPU halo exc
h
a
nge only when com
p
atible D
D
i
s a
v
ailabl
e
commit
|
commitdiff
|
tree
2019-09-19
M
a
r
k Abra
h
a
m
F
u
rther improve getDDGrid
S
et
u
p
commit
|
commitdiff
|
tree
2019-09-16
M
ark A
b
raham
Avoid short-
r
ange GPU operations with no work
commit
|
commitdiff
|
tree
2019-09-12
Mar
k
Abraham
Disable report-
m
e
thod
s
end-to-end test
commit
|
commitdiff
|
tree
2019-09-11
M
a
rk Abra
h
a
m
M
a
ke
g
mx_m
u
ltisim_t a
C
+
+ obje
c
t
commit
|
commitdiff
|
tree
2019-09-11
Mark
A
braham
Fix multi-sim restar
t
handling i
n
c
o
rner cases
commit
|
commitdiff
|
tree
2019-09-10
M
a
rk Abraha
m
Avoid warning in no-
m
pi
build
commit
|
commitdiff
|
tree
2019-09-10
Mark A
b
raham
U
s
e
more RAI
I
semantics with
t
_c
o
mmrec
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Clean up
commrec u
n
iformly
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
r
k Ab
r
aham
S
im
p
li
f
y e
n
e
r
gy-file compari
s
ons in te
s
ts
commit
|
commitdiff
|
tree
2019-09-02
Mark
A
braham
M
ove initialization of clFFT
commit
|
commitdiff
|
tree
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