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Only issue FFT warning messages on changes
2017-11-10
Mark Abr
a
ham
Import cmake Modul
e
s/Fin
d
CU
D
A
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Ab
r
aham
Prepared t_mdatoms f
o
r using vect
o
r
commit
|
commitdiff
|
tree
2017-11-09
M
ark Abra
h
am
Intro
d
uc
e
HostAll
o
cationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Re
f
o
r
m
g
mx_pme_pp a
l
loc and u
s
e vector
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
b
raham
In
t
rod
u
ce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
raham
Test clang on
ARM in nightly matrix
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk Abraham
I
mprove
P
ME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merge
"Merge branch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Ma
r
k Abraham
M
e
r
g
e
branch
r
e
lease-
2
016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thr
e
ad-MPI rank
c
hoice f
o
r ori
e
n
tat
i
on restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Improve handling of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abrah
a
m
Update
t
reatment of GPU c
o
mpa
t
i
bility data str
u
cture
commit
|
commitdiff
|
tree
2017-10-30
Mar
k
Abraham
Fix and
u
pdate hw_i
n
f
o
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
Fix
hw det
e
cti
o
n mor
e
commit
|
commitdiff
|
tree
2017-10-26
M
ark Abraham
Make release matrix work again
commit
|
commitdiff
|
tree
2017-10-26
Mark A
b
raham
New
q
uote
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
T
e
ach
the copy
r
ight checker about te
m
plate
.
c
pp
commit
|
commitdiff
|
tree
2017-10-20
M
ark Abraham
Clarif
y
docs for Fm
a
x
in
E
M
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Merge br
a
nch r
e
lease-
2
01
6
commit
|
commitdiff
|
tree
2017-10-16
Mark
Abraham
M
erge br
a
nch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Update
t
ests for C++
1
1 compiler and standa
r
d librar
y
commit
|
commitdiff
|
tree
2017-10-13
Mar
k
A
b
r
a
h
am
Fix cp
u
info on clang
+
non-x86
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k
Abraham
I
n
troduc
e
d
h
e
a
der fo
r
communication to/from PME
ranks
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
A
b
raham
C
l
eaned up ewaldc
o
e
f
f
for PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
Abraha
m
Use clang
-
5
in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark
A
braham
Tell cppcheck that
.
cpp a
n
d
.
cu files a
r
e c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Conti
n
ue r
e
moving
-nb gpu_c
p
u
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
Enable grou
p
-scheme
S
IMD w
i
th GMX_SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
Intro
d
uce and use Aligned
A
llocati
o
nPolic
y
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraha
m
Up
d
a
te
t
e
s
ting
m
at
r
ices to te
s
t
with
(lates
t
) i
c
c-1
8
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merge branc
h
release-20
1
6
commit
|
commitdiff
|
tree
2017-09-15
M
ark Ab
r
aham
Express intent of matrix re
l
e
a
se build
ty
p
es
e
xplicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abrah
a
m
Bumped patch ve
r
si
o
n for next release
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abraham
V
ersion
201
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk
A
b
r
aham
Form taskassignment m
o
dule
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk Abra
h
am
Fix compat module de
f
inition
commit
|
commitdiff
|
tree
2017-09-12
Mar
k
A
b
raham
Merg
e
branch relea
s
e
-201
6
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k Abraham
Introduc
e
t
y
pe-safe GPU e
m
ul
a
tion
va
r
iables
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k Abraham
Enable group-scheme SIMD ker
n
els on recent AVX extens
i
ons
commit
|
commitdiff
|
tree
2017-09-06
Mark
Ab
r
aham
P
repare Verlet scheme late
r
in
r
unner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix
e
s f
o
r S
o
lar
i
s
commit
|
commitdiff
|
tree
2017-09-05
Mar
k
Abrah
a
m
Fix us
e
of G
P
U infor
m
ation for thr
e
ad-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Fix
c
ompiler flags for using MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merg
e
branch re
l
ease-5-
1
int
o
r
e
lease-201
6
commit
|
commitdiff
|
tree
2017-08-25
M
a
rk Abraha
m
Fix
f
l
at-botto
m
ed pos
i
tion
re
s
traints with
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
M
a
rk
Abr
a
ham
Stopped c
h
eckpoi
n
t i
n
f
l
uencin
g
parall
e
lism setup
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k Abraham
R
un GPU detectio
n
even
f
or
mdr
u
n
-nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Ab
r
aham
Fixed thread-MPI with n
o
n-d
e
fault -
n
p
m
e
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fix missing de
c
l
a
ration of GMX_UNUSED_VA
L
UE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abr
a
ham
Merge branc
h
release-201
6
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Abraham
Moved increase_nstlist()
t
o nb
n
xn
_
tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark
Abraham
Fix compilation issues w
i
th ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Ab
r
aham
Replace
c
onsistency checking
with ass
e
r
t
io
n
commit
|
commitdiff
|
tree
2017-08-16
M
ark
Abraham
Pa
r
se
use
r
-supplied
GPU
t
ask assignment
o
nly when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraha
m
R
emove
duplicate GPU non
-
usa
g
e
hint
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k
A
bra
h
am
Moved l
o
gging
f
unctionali
t
y into GPU
u
sage report
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge
b
ranch release
-
5-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
braham
Fix v
a
lue of Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark
A
b
r
aham
Clarify data flow in GPU tas
k
assignment
commit
|
commitdiff
|
tree
2017-08-07
M
ark
A
bra
h
am
Fix include
d
ependency fo
r
getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark A
b
raham
Si
m
pli
f
ied handling o
f
G
P
U device IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abra
h
am
Simp
l
ify resource-
d
i
v
ision efficiency ch
e
ck
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split
prin
t
h
ardware fro
m
detecthardware
commit
|
commitdiff
|
tree
2017-08-06
M
a
r
k Abraham
Decoup
l
e ta
s
k
a
s
signmen
t
from ta
s
k execution
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abra
h
am
Removed unused host
-
side allocat
i
on code
commit
|
commitdiff
|
tree
2017-08-04
M
ark Abraham
S
t
op
using hwinfo
_
g
f
or reporting
c
o
de
commit
|
commitdiff
|
tree
2017-08-03
Mark Abra
h
am
Remov
e
d unused incl
u
de statem
e
nts
commit
|
commitdiff
|
tree
2017-08-01
Ma
r
k
A
br
a
ham
Introdu
c
ed Mdrunner high
-
level
class
commit
|
commitdiff
|
tree
2017-07-27
M
ark Abraham
Enhance c
m
ake and releng handling of
G
M
X
_USE_RD
T
SCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abra
h
am
Sep
a
rate
d
r
e
sponsibility for
c
onsistency checking
commit
|
commitdiff
|
tree
2017-07-24
M
ar
k
Abraham
Rem
o
ve
unnecessa
r
y GPU
ch
e
cking code
commit
|
commitdiff
|
tree
2017-07-20
M
ark Abraham
C
leaned up bUs
e
Gpu in r
u
nner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraha
m
S
top
du
p
licate printing o
f
detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abra
h
a
m
F
ix use o
f
GMX_SI
M
D in own-fftw build
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk
A
brah
a
m
Made post-submit
c
onfig to t
e
st clan
g
+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Ma
r
k
Abraha
m
Improve CM
a
k
e impleme
n
tation for
G
M
X
_
S
IMD
commit
|
commitdiff
|
tree
2017-07-18
Mar
k
Abraham
Conver
t
ed some co
n
st pointers into const refere
n
ces
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Eliminated pick_nbnxn
_
resources
commit
|
commitdiff
|
tree
2017-07-14
Mar
k
A
b
r
aham
Im
p
lemented g
r
ompp
-po for options-s
t
y
l
e md
p
h
andling
commit
|
commitdiff
|
tree
2017-07-14
Ma
r
k
A
bra
h
am
Clean u
p
cmake buil
d
host detecti
o
n
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k Ab
r
ah
a
m
Clean up gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cleaned up mdrunner_s
t
art_t
h
reads
commit
|
commitdiff
|
tree
2017-07-13
Mark Ab
r
a
h
a
m
More u
p
da
t
e
s
t
o
testing matrix
commit
|
commitdiff
|
tree
2017-07-07
Mark A
b
raham
R
efactor error h
a
n
d
ling
i
n ini
t
_gp
u
commit
|
commitdiff
|
tree
2017-07-06
Mark Abra
h
am
Simp
l
ify gmx_gpu_opt
_
t
commit
|
commitdiff
|
tree
2017-07-04
Mark
A
b
r
aham
Clean up
p
ic
k
_nbnxn_resou
r
ces
commit
|
commitdiff
|
tree
2017-07-01
Mark A
b
ra
h
am
Cleaned up GPU emulation
l
ogic
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk
A
braham
Cleaned up high-le
v
el boole
a
n variable naming
commit
|
commitdiff
|
tree
2017-06-28
Ma
r
k
A
braham
Fix s
p
ec
i
fica
t
io
n
for gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Merge bran
c
h
r
elease-20
1
6
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor
i
mprovements to
test configs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated logic
f
or choosing number of thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abra
h
am
Replace misnamed nbnxn_gpu_accel
e
r
a
tion_supported
commit
|
commitdiff
|
tree
2017-06-22
M
ark Abr
a
h
am
Consolida
t
e a
n
d fix l
o
gic
f
or
m
drun -nb an
d
-gp
u
i
d
commit
|
commitdiff
|
tree
2017-06-21
Mark A
b
ra
h
am
Reform ngp
u
va
r
iable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abrah
a
m
Remove bUserSetG
p
u
I
ds field
commit
|
commitdiff
|
tree
2017-06-14
Mark
A
braham
Simplify r
e
port
i
ng f
r
om init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraham
Move gmx_
p
arse_gpu_id out
of checking
f
u
n
ction
commit
|
commitdiff
|
tree
2017-05-31
Mark Ab
r
aham
N
e
w quote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix
N
VML
error m
e
ssage
s
commit
|
commitdiff
|
tree
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