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Fix and update hw_info
2017-10-30
Mark Abraham
Fix and updat
e
hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark
Abraham
Fix hw dete
c
tion more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make relea
s
e
matrix work again
commit
|
commitdiff
|
tree
2017-10-26
Mark Ab
r
aha
m
New qu
o
te
commit
|
commitdiff
|
tree
2017-10-25
M
a
rk Abra
h
am
Teach th
e
c
opyri
g
ht checker ab
o
u
t
t
empl
a
te
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraha
m
Merge
b
r
anch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-10-16
M
ark Abraham
Merge branch
release-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark
Abraham
Upd
a
te tests
f
or C++1
1
compiler and st
a
nd
a
rd lib
r
ary
commit
|
commitdiff
|
tree
2017-10-13
M
a
rk Abraham
Fix
c
puinfo on
clang + non-x8
6
commit
|
commitdiff
|
tree
2017-10-11
Mark Abra
h
am
Intr
o
duced head
e
r
f
or communicat
i
on to/from PME
r
a
nks
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
A
b
raham
Cleaned up ewaldco
e
ff for
PME-onl
y
ra
n
k
s
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abr
a
ham
Use
clang-
5
i
n
Je
n
kins
commit
|
commitdiff
|
tree
2017-10-07
Mark A
b
raham
Tell cppc
h
eck that
.
cpp and
.
cu file
s
are c
+
+
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue removing
-
nb
g
pu
_
cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
Enable
group-sch
e
me SIMD wi
t
h GMX_SIM
D
=AVX2_12
8
commit
|
commitdiff
|
tree
2017-10-03
M
a
rk Abraham
I
n
t
r
oduce
a
nd use
AlignedAllocationPo
l
icy
commit
|
commitdiff
|
tree
2017-09-19
Mark A
b
raha
m
Update testing m
a
trices
t
o test
w
i
th (la
t
est) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Mer
g
e branch release-2016
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk
Abraham
Express
i
ntent of matrix re
l
ease b
u
i
l
d types explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bumped patch
v
ersion for next re
l
ease
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abrah
a
m
Version 2
0
16
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark A
b
raham
F
orm t
a
skassignment
module
commit
|
commitdiff
|
tree
2017-09-14
Mark
Abr
a
ham
Fix compa
t
module d
e
f
i
n
ition
commit
|
commitdiff
|
tree
2017-09-12
Mark
Abrah
a
m
Me
r
ge branch
rele
a
se-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Introd
u
ce type-safe GPU e
m
ula
t
ion variables
commit
|
commitdiff
|
tree
2017-09-07
Mark
A
braham
E
nab
l
e
g
ro
u
p-scheme SIMD kernels
on recent AVX extensions
commit
|
commitdiff
|
tree
2017-09-06
Mar
k
Abraham
Pre
p
are
Verlet sc
h
eme later
i
n
runner
commit
|
commitdiff
|
tree
2017-09-05
M
a
rk Abrah
a
m
Fixes for
S
olaris
commit
|
commitdiff
|
tree
2017-09-05
Mark A
b
raham
Fix use
of GPU
i
nformation for thread-MPI s
e
t
up
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
F
i
x
compiler flags for using
M
K
L
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merge br
a
n
c
h
r
elease-5
-
1 into release-20
1
6
commit
|
commitdiff
|
tree
2017-08-25
M
ark Abraham
Fix fl
a
t-bottomed
po
s
ition
r
estrai
n
ts
w
ith multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Sto
p
ped checkpoin
t
i
n
fluencing
p
arallelism se
t
up
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Run GPU
d
et
e
ctio
n
even
for mdrun -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fixed threa
d
-MPI with
non-d
e
fau
l
t -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
a
ham
Fix missing declarat
i
on of GM
X
_U
N
U
S
ED_
V
ALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merge
branch
release-2
0
1
6
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Mov
e
d
i
ncrease_nstlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark
A
braham
Fix compi
l
a
t
i
o
n issues with
A
RM SI
M
D
commit
|
commitdiff
|
tree
2017-08-17
Ma
r
k
Abra
h
am
R
e
place consist
e
n
cy
c
h
eck
i
ng with assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark Ab
r
aham
Parse user-s
u
p
p
lied
G
PU
t
ask
assignment only
w
hen needed
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k
A
braham
Remove
d
up
l
icate GPU no
n
-usage
h
int
commit
|
commitdiff
|
tree
2017-08-16
M
a
rk Abraham
Moved logging functionali
t
y
i
nto GPU usage rep
o
r
t
commit
|
commitdiff
|
tree
2017-08-15
Mark
Abraham
Merge bran
c
h release-5-1
i
nto relea
s
e
-2016
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
A
braham
Fix
value
o
f Ewald
s
h
i
f
t
commit
|
commitdiff
|
tree
2017-08-10
Mark Ab
r
aham
Clari
f
y
dat
a
f
low in GPU task assignme
n
t
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
F
ix include
dependency f
o
r getenv
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k Abra
h
am
S
i
mplified handli
n
g of GPU device
I
Ds
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Sim
p
lify resource-
d
ivi
s
io
n
effici
e
ncy ch
e
ck
commit
|
commitdiff
|
tree
2017-08-06
M
ark Abrah
a
m
Split p
r
inthar
d
ware fro
m
detecthar
d
ware
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
b
r
aham
D
e
coup
l
e task as
s
i
g
nment from ta
s
k executi
o
n
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Removed
u
n
used host-side
allocatio
n
c
o
de
commit
|
commitdiff
|
tree
2017-08-04
M
ark Abrah
a
m
S
t
op u
s
ing
h
w
info_g for reporting c
o
de
commit
|
commitdiff
|
tree
2017-08-03
M
ark Abraham
Removed unused include sta
t
emen
t
s
commit
|
commitdiff
|
tree
2017-08-01
Mark
Abrah
a
m
Introduced
M
drun
n
er high-level cl
a
ss
commit
|
commitdiff
|
tree
2017-07-27
Mark
Abraham
Enhance
cmak
e
and re
l
eng
handl
i
n
g
of GMX_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark
A
braham
Sep
a
rat
e
d re
s
p
onsibility for consistenc
y
checking
commit
|
commitdiff
|
tree
2017-07-24
Ma
r
k Abr
a
ham
R
emove unn
e
c
essary G
P
U checking
code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Cleaned u
p
bUseGp
u
in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
aham
S
t
op duplicate
p
r
inti
n
g of detecte
d
GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
F
ix use of GMX_SI
M
D in own-fftw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
M
ade po
s
t
-subm
i
t
co
n
fig to tes
t
cla
n
g+o
p
e
nm
p
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Improv
e
CM
a
ke implementation for GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
M
a
rk Ab
r
aham
Converted some con
s
t pointers into c
o
ns
t
refere
n
ces
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abrah
a
m
Eliminated pick_
n
bn
x
n
_resources
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Abraham
Implem
e
nte
d
grompp -po for op
t
ions-style mdp
h
a
n
dl
i
ng
commit
|
commitdiff
|
tree
2017-07-14
M
a
r
k
Abraham
C
lean up cm
a
ke b
u
i
ld h
o
st detection
commit
|
commitdiff
|
tree
2017-07-13
M
a
r
k Abrah
a
m
Clean up gmx_
m
drun()
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
raham
Cleaned
u
p mdrunner_st
a
r
t
_
t
hreads
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Abrah
a
m
Mor
e
up
d
ates to
t
estin
g
matri
x
commit
|
commitdiff
|
tree
2017-07-07
Mark Abr
a
ham
Refactor error h
a
n
dling i
n
i
nit_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abraham
Simpli
f
y
gmx_gpu_o
p
t_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean up p
i
c
k
_nbnx
n
_reso
u
rces
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraha
m
Cleaned up GPU emulation
l
o
g
ic
commit
|
commitdiff
|
tree
2017-06-28
Mark Abrah
a
m
Cleaned up high-lev
e
l
boolean
v
a
ri
a
ble naming
commit
|
commitdiff
|
tree
2017-06-28
Mark A
b
raham
F
i
x
specific
a
tion for gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark
A
br
a
ham
Merge bran
c
h release-
2
0
1
6
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor improvements to
t
est configs
commit
|
commitdiff
|
tree
2017-06-22
M
ark Abraham
C
onsolidated logic for choosing
n
u
m
b
e
r
o
f
thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
raham
Replace
misn
a
med
n
bnxn_gpu_accelerati
o
n_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolida
t
e a
n
d
f
ix
log
i
c for m
d
r
u
n -nb and
-
gpuid
commit
|
commitdiff
|
tree
2017-06-21
M
ark Abraham
Re
f
or
m
ngpu
v
ariable
commit
|
commitdiff
|
tree
2017-06-21
Mar
k
Abraham
Rem
o
v
e
bUserSetGpuIds
f
ield
commit
|
commitdiff
|
tree
2017-06-14
Mark
Abrah
a
m
Simplify reporting from i
n
it_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mar
k
Abraham
Mo
v
e gmx_parse_gp
u
_id
out of c
h
ecking fun
c
tion
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2017-05-30
Ma
r
k Abra
h
a
m
Fix
NVML error messages
commit
|
commitdiff
|
tree
2017-05-27
Ma
r
k Abraha
m
Q
u
otes from Got
t
ingen workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
Tes
t
invsi
x
thr
o
ot function
a
s
intend
e
d
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updat
e
d
u
se o
f
compile
r
specifie
r
s in tes
t
ing
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk A
b
raham
Upd
a
ted us
e
of gcc-5
specifiers
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk
Abraham
Update clang stati
c
analyz
e
r sla
v
e to use version
4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraham
Upda
t
e clang-4
commit
|
commitdiff
|
tree
2017-05-09
Mark
A
braham
F
ix form
a
tting of MKL cm
a
ke docs
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Merge branch release
-
2016
commit
|
commitdiff
|
tree
2017-05-09
M
ark Abr
a
h
a
m
Cleaned up memory usage in gmx traj
a
nd trjconv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean up memo
r
y us
a
ge with oenv and xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark Abrah
a
m
Minor c
h
ang
e
t
o
GPU co
m
patibility reporti
n
g
handling
commit
|
commitdiff
|
tree
2017-04-17
M
ark Abraham
Propose a post-submit matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abr
a
ham
Remov
e
d
o
_pbc_first
commit
|
commitdiff
|
tree
next