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Restore use of CUDA 11.0 in CI
2020-08-17
Mark Abraham
Restore use
of CUDA
11
.
0 in CI
commit
|
commitdiff
|
tree
2020-08-17
M
ark Abraham
B
u
ild fewer unnecessary SIMD kernels in CI
commit
|
commitdiff
|
tree
2020-08-17
Mark
Ab
r
aham
S
u
p
p
ort
on
e
A
PI
i
n
gitlab CI
commit
|
commitdiff
|
tree
2020-08-17
Mark
A
br
a
ha
m
S
topped
using images in bio
p
h
ys
i
cs Docker
r
e
p
ository
commit
|
commitdiff
|
tree
2020-08-17
Mark A
b
raham
A
void builds
w
i
th RelWithDebInfo
commit
|
commitdiff
|
tree
2020-08-17
Mark Abraham
Fix
isHostMemoryPinned
f
or
changes in CU
D
A 11
.
0
commit
|
commitdiff
|
tree
2020-08-12
Mark Abraham
Revert
to CUDA 10
i
mage f
o
r CI
commit
|
commitdiff
|
tree
2020-08-07
Mark A
b
raham
Fix releas
e
build warning
commit
|
commitdiff
|
tree
2020-08-06
Mark Abraham
Keep a
l
l t
h
e in
f
ra and the user happy
commit
|
commitdiff
|
tree
2020-08-06
Mar
k
Abraham
Update
m
inimum tested CUDA to 11
.
0
commit
|
commitdiff
|
tree
2020-07-31
Mark Ab
r
ah
a
m
Move
code to prepare
fo
r
multisim class
commit
|
commitdiff
|
tree
2020-07-31
Mark Ab
r
aham
Rel
e
ase configs were usi
n
g a
w
rong bu
i
l
d ty
p
e
commit
|
commitdiff
|
tree
2020-07-27
M
a
rk
Ab
r
aham
Fix warnin
g
s
in release buil
d
s
commit
|
commitdiff
|
tree
2020-07-27
Mark Abra
h
am
Fix RD
T
SCP handling
commit
|
commitdiff
|
tree
2020-07-15
Ma
r
k
A
b
r
aham
Divide defau
l
t communi
c
a
tor from DD com
m
unicators
commit
|
commitdiff
|
tree
2020-07-08
Mark
A
braham
Fix is
s
ues found w
i
th clang-tidy
commit
|
commitdiff
|
tree
2020-06-25
M
ar
k
A
braham
Rest
o
red the c
o
mment
commit
|
commitdiff
|
tree
2020-06-23
Mark Abrah
a
m
WIP: F
i
ni
s
h removing compile_cpp_as_cuda
commit
|
commitdiff
|
tree
2020-06-01
Mark A
b
raha
m
Fix atomic
s
configure t
e
st
commit
|
commitdiff
|
tree
2020-05-29
Mark Abraham
Mak
e
C
ygw
i
n b
u
i
l
d
work
commit
|
commitdiff
|
tree
2020-04-30
Ma
r
k Abraham
Remove
bundled FindCUDA
.
cmak
e
commit
|
commitdiff
|
tree
2020-04-30
M
a
rk Abraham
Fix compiler flag
rep
o
rting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Update
c
make ve
r
s
ion for d
o
cs container
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
Abraham
Baseline
c
om
m
i
t
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
Abr
a
ham
Fixed
s
everal clang-tidy
issues
commit
|
commitdiff
|
tree
2020-04-27
M
a
rk Abraham
Im
p
roved some logic
i
n do_fo
r
ce
commit
|
commitdiff
|
tree
2020-04-25
Mar
k
A
b
rah
a
m
Move configuration of gl
o
bal he
a
ders
commit
|
commitdiff
|
tree
2020-04-23
Mark A
b
raham
Mark HWLOC cmake cache vari
a
ble
a
s
a
dvanced
commit
|
commitdiff
|
tree
2020-04-23
Ma
r
k Abr
a
ham
Fix w
a
rnings for no-mpi build
commit
|
commitdiff
|
tree
2020-04-21
M
ark Abraham
Fix war
n
i
n
gs
w
ith
clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mar
k
A
br
a
h
am
Introdu
c
e G
M
X_USE_SI
M
D_KERNELS cmake option
commit
|
commitdiff
|
tree
2020-04-14
M
a
rk Abraha
m
Fix more
c
l
ang warnings
commit
|
commitdiff
|
tree
2020-04-13
Mark Ab
r
aham
Fix war
n
ings for no-mp
i
build
commit
|
commitdiff
|
tree
2020-04-12
M
ark Abraham
R
emoved unused
variable
in force table gener
a
t
i
on
commit
|
commitdiff
|
tree
2020-04-12
Ma
r
k Abraham
Finish removing ENCAD s
h
ifts and
table generation
commit
|
commitdiff
|
tree
2020-04-12
Mark
Abr
a
ham
Update to
c
lang-t
i
dy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark Abrah
a
m
Fi
x
es
for clang
-
tidy-9
commit
|
commitdiff
|
tree
2020-04-07
Mark Abraham
Re
p
lace EnumOption w
i
th Enumerati
o
n
A
rrayO
p
tion
commit
|
commitdiff
|
tree
2020-04-01
Mark Abr
a
ham
Fix m
i
nor bug with tool
s
t
i
me-u
n
it conversions
commit
|
commitdiff
|
tree
2020-03-30
M
a
r
k Abraha
m
Set
b
uffers
ap
p
ropriately so
.
xpm
fil
e
s can be read
.
commit
|
commitdiff
|
tree
2020-03-18
Mar
k
Abraham
Fi
x
unused
variable in PME
O
p
enCL kernel
commit
|
commitdiff
|
tree
2020-03-18
Mark
A
braham
Simplify PME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark Ab
r
aham
Move
t
e
s
ting c
o
de to t
e
st direct
o
r
y
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
R
e
qu
i
re padde
d
ato
m
d
a
ta fo
r
PME
G
PU
commit
|
commitdiff
|
tree
2020-03-09
Mark
A
b
raham
Consolidat
e
P
M
E GPU spl
i
ne infrastructure
commit
|
commitdiff
|
tree
2020-03-06
M
ark Abraham
Simplify compiling G
P
U code for
t
ests
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Simplify PME
s
te
p
wor
k
l
oad managem
e
nt
commit
|
commitdiff
|
tree
2020-03-04
Mark
A
b
raham
Im
p
rove TPI handling
commit
|
commitdiff
|
tree
2020-02-23
M
ark Abraham
Removed
u
nused P
M
E
gather functionality
commit
|
commitdiff
|
tree
2020-02-18
M
ark Abraham
A
dded more docs and tests to Enumerat
i
o
n
Arra
y
commit
|
commitdiff
|
tree
2020-01-27
M
a
rk Abrah
a
m
Upd
a
te some nbn
x
m kerne
l
co
n
stan
t
s to const
e
x
p
r
commit
|
commitdiff
|
tree
2020-01-27
M
a
r
k A
b
r
a
ham
Re
m
ove element-size m
e
mber fie
l
ds
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Make NbnxnGpu class wit
h
constructor
commit
|
commitdiff
|
tree
2020-01-17
M
ark Abra
h
am
Regulari
z
e nbnxm module d
o
xygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Abrah
a
m
Make nbn
x
m
h
eaders more self-contained
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Clean up ewald
modu
l
e
i
nternals
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Spl
i
t li
n
e
s with
m
any copyright years
commit
|
commitdiff
|
tree
2019-12-31
Mark
A
braham
Av
o
id
3
86 O
3
codegen
bug
even mor
e
commit
|
commitdiff
|
tree
2019-12-30
M
ark Ab
r
aha
m
T
e
st
s
that verify ser
i
alize
r
b
ehavio
u
r
s
commit
|
commitdiff
|
tree
2019-12-30
M
a
r
k
Abra
h
am
R
e
mo
v
e use of
t
uple
i
n
L
INCS code for GPU
imp
l
em
e
n
t
a
t
io
n
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraha
m
Re
m
ove
GM
X
_CYCLECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Ab
r
aham
Merge "Merg
e
o
r
i
g
in/releas
e
-
2019
into
re
l
ease-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Remove su
p
p
o
rt for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
St
o
p t
e
sting
ARM
v
7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abraham
Fix
t
h
at tests intend
e
d
f
or multip
l
e ran
k
s run
t
h
at way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Si
m
p
l
i
f
y
g
m
x
api
R
P
A
TH
handling
commit
|
commitdiff
|
tree
2019-12-12
Mark Abra
h
am
Merge
"
Merge b
r
a
n
ch 'origin/release-2020' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abr
a
ha
m
Document DOMAIND
E
COMP(cr) cor
r
e
c
t
l
y
commit
|
commitdiff
|
tree
2019-12-10
Mark
Abraha
m
Si
m
plify gmxapi RPAT
H
handling
commit
|
commitdiff
|
tree
2019-12-06
M
ark Abraham
Avoid 386 O3
codeg
e
n bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
P
r
o
vid
e
more feedba
c
k when
l
isted force
s
tests fail
commit
|
commitdiff
|
tree
2019-12-04
M
ark
Abra
h
am
Add
e
d O
p
e
n
CL build to release matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Rem
o
v
ed unne
c
essar
y
l
i
nk_di
r
ectories
comm
a
nd for gt
e
s
t
commit
|
commitdiff
|
tree
2019-12-01
M
ark
Abraham
Further imp
r
ove taskass
i
gnment exception handlin
g
commit
|
commitdiff
|
tree
2019-11-29
M
ar
k
Abra
h
am
Mer
g
e branch release-
2
01
9
into r
e
l
eas
e
-2020
commit
|
commitdiff
|
tree
2019-11-27
Ma
r
k Ab
r
aha
m
Disable G
P
U PME-PP
commun
i
c
a
ti
o
n w
i
th m
d
run -pmefft
c
pu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abr
a
h
am
I
m
p
rove hand
l
ing o
f
t
ask
-
a
s
signment
exception
s
commit
|
commitdiff
|
tree
2019-11-26
Ma
r
k Abraham
Relax t
o
lera
n
ce for bd
tests
commit
|
commitdiff
|
tree
2019-11-21
Mar
k
Abraham
Merg
e
branch relea
s
e-202
0
commit
|
commitdiff
|
tree
2019-11-21
Mark Ab
r
aham
New cool quote
commit
|
commitdiff
|
tree
2019-11-20
Mark Abrah
a
m
Qu
i
e
t uni
n
itialized variable
w
a
r
n
ing
w
ith
c
l
ang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Up
d
at
e
d release notes fo
r
CODATA update
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Re
l
axe
d
listed forces test tolerances
commit
|
commitdiff
|
tree
2019-11-16
Ma
r
k Abraham
Stop testing that h
w
lo
c
c
a
che-size detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Ma
r
k
Abraham
Tests for valid periodic ac
t
ions
commit
|
commitdiff
|
tree
2019-10-13
Mark
Abraham
Ensu
r
e e
n
vir
o
nm
e
nt var
i
able
use does not give warnings
commit
|
commitdiff
|
tree
2019-10-07
M
a
rk
A
b
r
a
h
a
m
E
x
te
n
d GPU traits class
commit
|
commitdiff
|
tree
2019-10-04
Mark
Abraham
Fi
x
that tests int
e
n
d
ed for
multiple ranks ru
n
t
hat way
commit
|
commitdiff
|
tree
2019-10-02
M
a
r
k Abraham
I
m
p
rove PME testing
commit
|
commitdiff
|
tree
2019-10-01
Mark
Abraha
m
Mov
e
G
PU task assi
g
nment
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k Abraham
Fix icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Removed dependency on commr
e
c of mdrun s
e
tup
commit
|
commitdiff
|
tree
2019-09-30
Mar
k
Abraha
m
Ma
k
e a builder for DD
commit
|
commitdiff
|
tree
2019-09-27
M
ar
k
Abraham
Im
p
rove MiMiC test im
p
leme
n
tation
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
Stop che
c
king CUDA v
e
rsi
o
n r
e
ported by
n
vcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
F
i
x gr
o
file
o
utput with
index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Add t
e
sts for ed
i
tco
n
f file
c
o
nversi
o
n with indexi
n
g
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
F
i
x gro file output wi
t
h index groups
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraham
Remove
leftover suppo
r
t for pre-9
.
0
C
UDA
commit
|
commitdiff
|
tree
2019-09-25
Ma
r
k Abraham
F
i
x log file flag
output
commit
|
commitdiff
|
tree
next