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Finish removing ENCAD shifts and table generation
2020-04-12
Mark
Abr
a
ham
Finish
removing ENCA
D
shifts and tabl
e
generat
i
on
commit
|
commitdiff
|
tree
2020-04-12
Mar
k
Abr
a
h
a
m
Update to cla
n
g
-ti
d
y-9
commit
|
commitdiff
|
tree
2020-04-08
Mark Abr
a
ham
Fixes fo
r
clan
g
-tidy-9
commit
|
commitdiff
|
tree
2020-04-07
Mar
k
Abraham
Re
p
lace EnumOption with
E
n
umera
t
ionArrayOption
commit
|
commitdiff
|
tree
2020-03-18
Mark Ab
r
aham
F
ix unu
s
ed vari
a
ble in PM
E
O
p
enCL kern
e
l
commit
|
commitdiff
|
tree
2020-03-18
Mark Abraham
Simplify
P
M
E
GPU co
n
sta
n
ts
commit
|
commitdiff
|
tree
2020-03-14
M
ark Abraham
Mov
e
testing code to test di
r
ectory
commit
|
commitdiff
|
tree
2020-03-13
M
ark Abraham
Re
q
uire padded at
o
m data for PME GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark Abr
a
ham
Consolidate PME GPU s
p
line infrastructure
commit
|
commitdiff
|
tree
2020-03-06
Mark
A
br
a
ham
S
implify compiling GPU code for test
s
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Simplify PME
s
tep
workload
m
anagement
commit
|
commitdiff
|
tree
2020-03-04
Mark
A
braham
Improve TPI
h
a
n
dling
commit
|
commitdiff
|
tree
2020-02-23
Ma
r
k Abraham
Removed unused PME
g
ath
e
r fun
c
tiona
l
ity
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraham
Added
m
or
e
docs and tests to EnumerationArray
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Update some nbnx
m
kernel constants to c
o
nstexp
r
commit
|
commitdiff
|
tree
2020-01-27
M
a
rk Abraham
Remove element-s
i
ze member fields
commit
|
commitdiff
|
tree
2020-01-27
Mark
Abraham
Mak
e
Nbnxn
G
p
u class w
i
th constructor
commit
|
commitdiff
|
tree
2020-01-17
Mark Abraham
Regularize nbnxm module doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark
A
b
r
aham
Make
n
bnxm headers more
s
elf-contained
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraha
m
Clean u
p
e
wald module i
n
t
ernals
commit
|
commitdiff
|
tree
2020-01-09
Mark A
b
raham
Split lines wi
t
h many copyright y
e
ars
commit
|
commitdiff
|
tree
2019-12-31
Mark Ab
r
aham
Avoid
3
86 O3 codegen bug e
v
en m
o
re
commit
|
commitdiff
|
tree
2019-12-30
M
a
r
k
Abraham
Tests that verify se
r
i
a
liz
e
r
behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraha
m
Remove use of t
u
ple in LINCS code for GPU implementatio
n
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Remove GMX_CYCL
E
COUN
T
ERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Abra
h
am
Mer
g
e
"
Merge or
i
gin/r
e
leas
e
-2
0
19 into releas
e
-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark A
b
raham
Remove
s
uppor
t
for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark A
b
raham
St
o
p t
e
sting
ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abra
h
am
Fix that tests in
t
ended for
m
ultiple ranks run
t
h
at way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraha
m
Sim
p
li
f
y
gmxapi RPATH handli
n
g
commit
|
commitdiff
|
tree
2019-12-12
Mark Abraha
m
Merge "Mer
g
e branch 'origin/release-2020
'
int
o
m
as
t
er"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Do
c
ume
n
t DOMAIN
D
E
COMP(cr) corr
e
ctl
y
commit
|
commitdiff
|
tree
2019-12-10
Mark Abraham
Simplify gmx
a
p
i
RPATH handling
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk
Abraham
Avoid 386 O3 codege
n
bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
P
r
ovide
more fee
d
back w
h
e
n
l
i
s
t
e
d for
c
es
te
s
ts fail
commit
|
commitdiff
|
tree
2019-12-04
Mark Abrah
a
m
Added Op
e
n
C
L
bui
l
d to release matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abr
a
ham
Removed
unn
e
ces
s
ar
y
link_directories comman
d
f
o
r g
t
est
commit
|
commitdiff
|
tree
2019-12-01
Mark Abraham
Furt
h
er improve taska
s
si
g
nment exception h
a
ndli
n
g
commit
|
commitdiff
|
tree
2019-11-29
Mark Abraham
Merge branch
release
-
2
019 into
rele
a
s
e
-
20
2
0
commit
|
commitdiff
|
tree
2019-11-27
Mark Abrah
a
m
Disable G
P
U PME-P
P
communication
with m
d
r
un -pm
e
f
ft cp
u
commit
|
commitdiff
|
tree
2019-11-26
Mar
k
Abraham
Improve handl
i
ng of t
a
s
k
-assignment exc
e
ption
s
commit
|
commitdiff
|
tree
2019-11-26
Ma
r
k Abraham
Rel
a
x
tolerance for bd
t
ests
commit
|
commitdiff
|
tree
2019-11-21
Mark Abra
h
am
Merge branch release-2020
commit
|
commitdiff
|
tree
2019-11-21
Ma
r
k Abraham
New
c
ool quote
commit
|
commitdiff
|
tree
2019-11-20
Mark
Abraham
Quiet uninitialize
d
va
r
ia
b
le warn
i
n
g with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Updated
r
ele
a
s
e
notes
f
o
r CODATA
u
pdate
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Relaxed li
s
ted force
s
t
est to
l
erances
commit
|
commitdiff
|
tree
2019-11-16
Mark
A
bra
h
am
Stop t
e
sting t
h
at hwloc cache-size dete
c
tion wor
k
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abraha
m
Tests for valid periodic actions
commit
|
commitdiff
|
tree
2019-10-13
Mark Ab
r
aham
Ensure
en
v
ironme
n
t
va
r
iable use does not give warnings
commit
|
commitdiff
|
tree
2019-10-07
Mark A
b
r
a
ham
E
xtend GP
U
traits cla
s
s
commit
|
commitdiff
|
tree
2019-10-04
Mark Abraham
Fix t
h
at t
e
s
ts intended
for multi
p
le
ra
n
ks run that way
commit
|
commitdiff
|
tree
2019-10-02
M
ark Abraham
Imp
r
ove PME
testi
n
g
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k
A
braham
Move GPU task as
s
ignment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abr
a
ham
Fix icc war
n
in
g
s
commit
|
commitdiff
|
tree
2019-10-01
M
a
r
k Ab
r
aham
Re
m
oved dependenc
y
on
c
ommrec of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
M
a
rk
Abraham
Make a bu
i
lder for DD
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Abr
a
ham
Imp
r
ove MiMiC test imp
l
ementation
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Abraham
Stop
c
hecking C
U
DA
ve
r
sion
repor
t
ed by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
Fix
gro file output
w
ith in
d
e
x groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
A
dd tests for editconf file
conversion
with indexing
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abraham
Fix gro file output
w
i
th index gr
o
u
p
s
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abraham
Remove left
o
ve
r
suppor
t
for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
Abraham
Fix log f
i
le flag outpu
t
commit
|
commitdiff
|
tree
2019-09-24
M
a
rk Abraham
Fix no-MPI CUDA build
commit
|
commitdiff
|
tree
2019-09-24
Mark
A
brah
a
m
Merge "Merg
e
branc
h
re
l
ease-2019 in
t
o mast
e
r"
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
A
b
raham
Fi
x
clang unused-function
warnings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abr
a
ham
Fixe
s
t
o
broken CUDA compiler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark
A
braham
Fix 1D-1pulse sup
p
or
t
commit
|
commitdiff
|
tree
2019-09-20
Mark
A
b
raham
R
e
f
ac
t
or to cr
e
ate
a GpuTa
s
kAssi
g
n
m
e
nts object
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
Abraham
Use GPU
halo excha
n
ge onl
y
when compatible DD is availabl
e
commit
|
commitdiff
|
tree
2019-09-19
Mark
A
b
raham
Further
improve getDDG
r
i
d
S
e
tup
commit
|
commitdiff
|
tree
2019-09-16
M
a
r
k Abraham
Avoid short-range GPU operati
o
ns with
n
o
work
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraham
Disabl
e
report-me
t
hods
end-t
o
-e
n
d test
commit
|
commitdiff
|
tree
2019-09-11
Mark
Ab
r
a
ham
Make
g
mx_m
u
ltisi
m
_t
a
C++ object
commit
|
commitdiff
|
tree
2019-09-11
Mark A
b
raham
F
ix multi-sim restart hand
l
ing in
c
o
rner cases
commit
|
commitdiff
|
tree
2019-09-10
M
a
r
k
Abra
h
am
Avoid warn
i
ng
in no-mpi b
u
ild
commit
|
commitdiff
|
tree
2019-09-10
Mark
Abraham
Use more
R
AII seman
t
ics with t_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Clean
u
p commrec uniformly
commit
|
commitdiff
|
tree
2019-09-05
Mark Abraham
Update mdru
n
t
e
s
t co
m
pa
r
iso
n
infrastructure
commit
|
commitdiff
|
tree
2019-09-03
Mar
k
A
b
rah
a
m
Simplify ener
g
y
-
f
i
le comparisons
i
n
tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Mov
e
in
i
tial
i
za
t
ion of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark
A
braham
Fix bu
i
ld m
a
trices
commit
|
commitdiff
|
tree
2019-08-29
Mark Abraham
M
o
r
e
quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Fix inte
g
rati
o
n
i
s
sue
s
commit
|
commitdiff
|
tree
2019-08-28
M
ark Abrah
a
m
Improved usability of grompp
b
y
reje
c
ting more invalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
a
rk
A
bra
h
am
Add integratio
n
tests for exact restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Mak
e
FEP rerun t
e
sts
cover t
h
e i
n
tended lambda space
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Convert
e
d
a
C
UDA config to u
s
e
c
l
ang
host-only compilation
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Fix pairlist bu
g
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
Upd
a
te clang
-
tidy t
o
clan
g
version 8
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Merge br
a
nch
release-2019
commit
|
commitdiff
|
tree
2019-08-22
Ma
r
k Ab
r
aham
Improve clang-analyz
e
r
build time
commit
|
commitdiff
|
tree
2019-08-22
M
ark Abrah
a
m
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
Improve org
a
n
i
z
ation
of LI
N
CS
r
eportin
g
commit
|
commitdiff
|
tree
2019-08-20
M
ark Ab
r
a
ham
Apply
c
lang-tidy-8 rea
d
ability-
u
pperca
s
e-literal-suffix
commit
|
commitdiff
|
tree
2019-08-20
Mark
A
braham
Use potentia
l
-
shift a
s
default modifi
e
r
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Reduce
cosine
a
cceler
a
tion quantity properl
y
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Fix is
s
ues for cl
a
n
g-analyz
e
r-8
commit
|
commitdiff
|
tree
2019-08-19
Mark A
b
raha
m
Modernize t_matrix, t_ma
p
ping, t_rgb
commit
|
commitdiff
|
tree
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