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Tests that verify serializer behaviours
2019-12-30
Mark Abraham
Tests that ver
i
fy serializer behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mark Abr
a
h
a
m
R
emove use of
t
uple in
L
I
N
CS code for
G
P
U implementation
commit
|
commitdiff
|
tree
2019-12-28
Mar
k
A
braham
Merge "Merge
origin/releas
e
-2019 into release-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-17
Mark Abr
a
ha
m
Fix
that t
e
s
ts
intended for multip
l
e ranks run that
way
commit
|
commitdiff
|
tree
2019-12-14
M
ark Abr
a
ham
Si
m
plify gmxapi RPATH handling
commit
|
commitdiff
|
tree
2019-12-11
M
a
rk Abr
a
ham
Document DO
M
AINDECOMP
(
cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
M
a
r
k Abraham
S
i
mplify g
m
xapi RPA
T
H handli
n
g
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Avoi
d
386
O
3 c
o
degen bug
commit
|
commitdiff
|
tree
2019-12-06
M
ar
k
Abraham
P
rovide mo
r
e
f
eed
b
a
c
k when listed forces tests fail
commit
|
commitdiff
|
tree
2019-12-04
Mark
A
braham
Added
O
penCL b
u
ild to release
m
a
trix
commit
|
commitdiff
|
tree
2019-12-04
M
ark Abr
a
ham
R
e
move
d
unnecess
a
ry link
_
directories comman
d
for gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark
A
braham
F
u
rth
e
r imp
r
ove task
a
s
s
i
g
nment exc
e
p
tion han
d
ling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abra
h
a
m
Merge br
a
nch rel
e
ase-2019
i
nt
o
rele
a
se-2
0
20
commit
|
commitdiff
|
tree
2019-11-27
M
a
rk A
b
raham
Disable GPU
P
ME-PP communication
with mdrun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark
A
braha
m
Improve handling of task-
a
ssignm
e
nt ex
c
ep
t
io
n
s
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Relax tolerance fo
r
bd
tests
commit
|
commitdiff
|
tree
2019-11-21
Mar
k
Abraham
New
c
ool qu
o
te
commit
|
commitdiff
|
tree
2019-11-20
Mark Abra
h
am
Quiet un
i
nitialized variable w
a
rning with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark A
b
raham
Update
d
r
e
lease notes for CODATA update
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Relaxed l
i
s
ted f
o
rces test
t
olerances
commit
|
commitdiff
|
tree
2019-11-16
Mar
k
A
b
raham
Stop
t
esting t
h
at
h
w
loc cache-size detec
t
ion w
o
r
k
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mar
k
Abraham
Te
s
ts fo
r
valid p
e
ri
o
dic act
i
ons
commit
|
commitdiff
|
tree
2019-10-13
M
ark Abrah
a
m
Ens
u
re environ
m
ent
v
ariable
u
se does not give war
n
in
g
s
commit
|
commitdiff
|
tree
2019-10-07
Mar
k
Abraham
Extend GPU trai
t
s
cl
a
ss
commit
|
commitdiff
|
tree
2019-10-04
Mark Abraham
Fix that
t
ests
intended for multiple ranks
r
un that way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abrah
a
m
Improve PME test
i
ng
commit
|
commitdiff
|
tree
2019-10-01
M
a
rk Abraham
Move G
P
U ta
s
k as
s
i
gnmen
t
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k A
b
raham
Fix icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark A
b
raham
R
e
moved
d
e
p
endency on c
o
mmr
e
c of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
M
ark Abra
h
am
Make a builder for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark A
b
raham
Improve MiMiC test
i
mplem
e
ntation
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k
Abraha
m
Sto
p
ch
e
cking CUD
A
version
reported by nvcc
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraham
F
i
x gro fil
e
output with
i
ndex
g
roups
commit
|
commitdiff
|
tree
2019-09-27
Mark A
b
raham
Add tests
for editconf file conv
e
r
s
ion with in
d
e
x
ing
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraham
Fix
g
ro file o
u
tput with i
n
dex groups
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Abraham
R
e
move leftover support for pre
-
9
.
0
C
U
DA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abraham
Fix log file flag
o
utput
commit
|
commitdiff
|
tree
2019-09-24
Mark
Abraham
Fix no
-
M
PI CUDA
b
uild
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Merge "Merge branch
r
elease-2019 i
n
to master
"
commit
|
commitdiff
|
tree
2019-09-24
M
a
rk
A
braham
Fix
c
lang unused-function
war
n
ings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fixes to
b
roken CUDA comp
i
ler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark
Abraha
m
Fix 1D-
1
pulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Ab
r
aham
Refac
t
or t
o
create a GpuTas
k
Assig
n
me
n
ts object
commit
|
commitdiff
|
tree
2019-09-19
Ma
r
k Abr
a
ham
Us
e
GPU halo e
x
c
hange only when compatible
DD is available
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
Further improv
e
g
e
tDDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abraha
m
A
v
o
id
short-r
a
n
g
e GPU ope
r
a
tions with no work
commit
|
commitdiff
|
tree
2019-09-12
Ma
r
k Ab
r
aham
Disable
r
epor
t
-methods end-to-end
t
es
t
commit
|
commitdiff
|
tree
2019-09-11
Mark Ab
r
a
ham
M
ake gmx_mult
i
sim_t a C++ o
b
j
ect
commit
|
commitdiff
|
tree
2019-09-11
Mark
A
braham
Fix mult
i
-s
i
m restart handling i
n
corner c
a
s
es
commit
|
commitdiff
|
tree
2019-09-10
M
ark Abraham
Avoid
w
arnin
g
in n
o
-
mpi
build
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
U
se more R
A
II
s
e
mantics with t_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mark
Abraham
C
l
ean
u
p commrec
uniformly
commit
|
commitdiff
|
tree
2019-09-05
M
ark Abraham
Update mdr
u
n te
s
t compar
i
so
n
inf
r
ast
r
ucture
commit
|
commitdiff
|
tree
2019-09-03
Mark
A
b
r
a
ham
Simplify
energ
y
-file compa
r
isons in tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Move initializati
o
n of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark
A
braham
Fix
b
uild m
a
t
r
ices
commit
|
commitdiff
|
tree
2019-08-29
Ma
r
k Abraham
More quot
e
s
commit
|
commitdiff
|
tree
2019-08-28
M
ark
A
braham
F
ix i
n
tegration issues
commit
|
commitdiff
|
tree
2019-08-28
M
a
r
k
Abrah
a
m
Impr
o
v
e
d
u
sability of grompp
by
r
ejecting mo
r
e
in
v
a
lid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
a
r
k
A
br
a
ham
Add integ
r
ation
t
e
sts
f
or exact restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Make FEP rerun
t
ests cover the intend
e
d
lambda
s
pace
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Converted a CUDA config to use clang h
o
st-on
l
y compila
t
ion
commit
|
commitdiff
|
tree
2019-08-26
Ma
r
k Abraham
Fix pairli
s
t bug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
Update
c
lang-tid
y
t
o
c
lang version
8
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraha
m
Mer
g
e
b
ra
n
ch release
-
2
019
commit
|
commitdiff
|
tree
2019-08-22
Mark
A
braham
I
m
pr
o
ve clan
g
-analyz
e
r bui
l
d t
i
me
commit
|
commitdiff
|
tree
2019-08-22
Mark Abrah
a
m
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mar
k
Abraham
Improve organiza
t
ion of LINCS
rep
o
rting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Apply
c
la
n
g
-
tidy-8 rea
d
ability
-
uppercase-literal-suffix
commit
|
commitdiff
|
tree
2019-08-20
M
a
rk Abr
a
h
am
Use poten
t
ial-shift as default
m
odifier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abrah
a
m
Reduc
e
cosine acc
e
leration quantit
y
p
r
operly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abr
a
ham
Fix issue
s
for cla
n
g-a
n
a
lyzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark
Abraham
Modernize t_matrix, t_mapping, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark
Abraham
Modernize t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Update testing
matrices
and fix
w
a
rnings
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Move keyvaluetr
e
ewrit
e
r code
commit
|
commitdiff
|
tree
2019-08-16
M
a
rk Ab
r
aham
Stop nbnxm/gri
d
.
h de
p
e
n
ding on SIMD m
o
dule
commit
|
commitdiff
|
tree
2019-08-15
Mark
A
b
raham
Remov
e
run-time c
h
eck from calc
_
shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark Abraham
Fix vv integrators
commit
|
commitdiff
|
tree
2019-08-13
M
a
r
k Abraham
Re
m
ove
w
o
rkaround
f
or
b
u
g
gy
c
ma
k
e
commit
|
commitdiff
|
tree
2019-08-13
M
a
rk A
b
raham
Fi
x
icc 1
9
c
o
degen issue
commit
|
commitdiff
|
tree
2019-08-12
M
ark Abraham
Quie
t
warning
commit
|
commitdiff
|
tree
2019-08-12
M
ark A
b
raham
Fix ocl_kernel target
commit
|
commitdiff
|
tree
2019-08-08
Mark
A
braham
Fix estim
a
t
e
of the size of a j list
commit
|
commitdiff
|
tree
2019-08-08
Mark
Ab
r
a
h
am
I
nitialize gmx_eki
n
data_
t
and
t
_vcm p
r
o
perly
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Stop testing ICC
on Window
s
commit
|
commitdiff
|
tree
2019-08-06
Mark A
b
raham
Fi
x
fo
r
M
S
VC
+
CUDA
commit
|
commitdiff
|
tree
2019-08-05
Ma
r
k
Abraham
Ad
d
q
uote
commit
|
commitdiff
|
tree
2019-08-05
Mark Abra
h
am
Remove libgromacs_gene
r
ated contr
i
butions from F
i
ndCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark A
b
raham
M
a
nage compile
r
flags and some include
o
p
tio
n
s per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark
Abraham
Impro
v
e
use of object libraries
in lib
g
romacs
commit
|
commitdiff
|
tree
2019-08-01
Ma
r
k Abraham
Merge "Me
r
ge release
-
2019 i
n
to master"
commit
|
commitdiff
|
tree
2019-07-24
Mar
k
Abraham
R
e
mo
v
e tests of make_u
n
ique
commit
|
commitdiff
|
tree
2019-07-23
M
a
r
k
A
b
raham
Upd
a
te develo
p
er gu
i
de
commit
|
commitdiff
|
tree
2019-07-16
Mark Abraha
m
Add gpub
u
ffero
p
s test m
a
trix
commit
|
commitdiff
|
tree
2019-07-11
Mark Abraham
Fix pre-submit build mat
r
ix a
n
d descripti
o
n
commit
|
commitdiff
|
tree
2019-07-08
Mark A
b
raham
F
i
x
hwl
o
c and sphi
n
x detection
commit
|
commitdiff
|
tree
2019-07-08
Mark
A
braham
Test s
p
ecific h
w
l
oc ve
r
s
i
ons
commit
|
commitdiff
|
tree
2019-07-05
M
a
rk Abrah
a
m
Impr
o
ve tests of index blo
c
k construction
commit
|
commitdiff
|
tree
2019-07-05
M
a
rk Abraham
Moderniz
e
F
ind
H
wloc
.
cm
a
k
e
commit
|
commitdiff
|
tree
next