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Cosmetic fixes to mdp documentation
2018-05-29
S
z
ilárd Pá
l
l
Switch
to CUDA
9
.
2 + gcc
7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd Páll
Bu
m
p required
C
U
DA vers
i
on to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix
i
c
c wa
r
ning in
pos
t
-
submit
commit
|
commitdiff
|
tree
2018-04-21
S
z
ilárd P
á
ll
Add pos
t
-su
b
mit wi
t
h
ARM HPC To
o
l
c
h
a
i
n
commit
|
commitdiff
|
tree
2018-04-21
Sz
i
lárd Páll
T
w
eak PME run m
o
d
e
checks
commit
|
commitdiff
|
tree
2018-04-20
Szilár
d
Páll
M
inor fix for pre-subm
i
t
mat
r
ix doc
s
commit
|
commitdiff
|
tree
2018-04-19
Sz
i
lárd Páll
Move the
P
ME GP
U
clearing to the end
o
f
the step
commit
|
commitdiff
|
tree
2018-04-16
Szilárd Páll
Add post-submit
tes
t
wit
h
hwloc off
commit
|
commitdiff
|
tree
2018-04-13
Szilárd Páll
Use triva
l
ue opt
i
on for GMX_HWLOC
commit
|
commitdiff
|
tree
2018-04-05
S
z
ilárd Páll
R
efactor cj pre
l
oad in
the nonb
o
n
d
ed OpenCL k
e
rnels
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Pál
l
Tweak/enable icc 18 pos
t
-submit
t
ests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Sw
i
tch CUDA 9
.
0
/gcc 5 test to CUD
A
9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
Requir
e
OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
Fix clang 6
.
0
w
ith CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
A
v
oid icc-sp
e
cific -marc
h
=
core-avx2 flag with gcc/
c
lang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd Pá
l
l
E
xtend "F
i
nding
out how to run mdrun
better" sect
i
o
n
commit
|
commitdiff
|
tree
2018-03-05
Szilár
d
Pá
l
l
Add to the contri
b
ut
o
r sec
t
ion
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Pál
l
Switch pre-su
b
m
i
t CUDA 8
.
0 test to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szi
l
árd Páll
Avoi
d
aborting mdrun when GPU sani
t
y check detect
s
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd
P
áll
Remove
barrier
s
prev
e
nti
n
g text
u
r
e
reference r
a
c
e
s
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remove single/multi compil
a
tion unit switching logic
commit
|
commitdiff
|
tree
2018-02-12
Sz
i
lárd Páll
Re
m
ove text
u
re
r
efer
e
nce s
u
pport
i
n the CUD
A
commit
|
commitdiff
|
tree
2018-01-12
Szilá
r
d Páll
Call GPU
p
rof
i
ler rese
t
o
n
separate PME ranks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pál
l
User gu
i
de update
s
to GPU secti
o
n
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
lárd
Páll
Relea
s
e notes tweaks
commit
|
commitdiff
|
tree
2018-01-10
Szilá
r
d
Páll
Install gu
i
de updates
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
lár
d
Páll
Environ
m
ent variable docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd P
á
ll
Disable
d
efault-o
n
N
VML support in CMake
commit
|
commitdiff
|
tree
2017-12-06
S
z
i
lárd Páll
Im
p
lement alternating GPU wait
commit
|
commitdiff
|
tree
2017-11-28
Sz
i
lárd Páll
Sep
a
rate local GPU NB
wait fr
o
m emula
t
ion launch
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
Refac
t
or GPU rol
l
in
g
prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilár
d
P
á
l
l
T
ime FFT/g
a
the
r
in
mixed mod
e
commit
|
commitdiff
|
tree
2017-11-24
Szilárd Páll
Add GPU sharing post-sub
m
it
c
onfig
commit
|
commitdiff
|
tree
2017-11-23
Szilárd Pál
l
Mo
v
e GPU
FFT/ga
t
h
er launch after
G
P
U nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szilár
d
Páll
Use -mavx2 -mfma instead of -
m
arch w
i
th AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pál
l
Merge common nbn
x
n CUDA/
O
penCL GPU wa
i
t code
-
pat
h
s
commit
|
commitdiff
|
tree
2017-11-07
S
zil
á
rd Páll
Add
wallcycle
timer for the PME GP
U
F reduction
commit
|
commitdiff
|
tree
2017-11-07
S
zilárd
P
á
ll
Split off nbnxn GPU timing and staging
r
eduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
á
l
l
Dedu
p
licate C
U
DA
and O
p
en
C
L
t
imer str
u
ct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Pá
l
l
F
i
x nstlist increase
w
arning print
commit
|
commitdiff
|
tree
2017-10-31
Szilá
r
d Páll
C
h
eck CUD
A
availabl
e
/compiled code compati
b
ility
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix
n
s
tli
s
t incr
e
ase warning pr
i
n
t
commit
|
commitdiff
|
tree
2017-10-26
S
zil
á
rd Páll
Reorganize PME G
P
U launch
commit
|
commitdiff
|
tree
2017-10-23
S
zilá
r
d Páll
Eliminate som
e
O
C
L/CUDA code code duplication
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
D
i
sable OpenMP with clang 3
.
4 post-
s
ubmit config
commit
|
commitdiff
|
tree
2017-10-19
S
zilár
d
P
áll
Remove unise
d
O
p
enCL de
b
ugging helpers
commit
|
commitdiff
|
tree
2017-10-12
Sz
i
lárd
P
á
l
l
Remove the size_t fr
o
m the PME ga
t
her CU
D
A
k
enels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd
Páll
R
e
fac
t
or scale
d
bo
x
handling for PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
S
z
ilá
r
d Páll
Fix pai
r
l
ist array a
s
sertion
commit
|
commitdiff
|
tree
2017-10-05
Szi
l
árd Páll
Avoid
-Wmissing
-
prototy
p
es warnings in c
l
a
ng CU
D
A builds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Pál
l
Move Ewald splitting-
r
elated code to ewald-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Enab
l
e compiling CUD
A
device code w
i
t
h clang
commit
|
commitdiff
|
tree
2017-09-28
S
z
i
l
árd Páll
Correct mi
s
placed CUDA
t
iming
e
vent record
commit
|
commitdiff
|
tree
2017-09-26
S
zilárd Pá
l
l
Rename
G
PU launc
h
/wait cycle counter
s
commit
|
commitdiff
|
tree
2017-09-18
Szilárd Páll
Minor refactoring of CUDA non-bonded kernels
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Pá
l
l
CU
D
A 9/Volta support for the pruning
k
ern
e
l
commit
|
commitdiff
|
tree
2017-09-12
Szilárd P
á
l
l
Merge bra
n
c
h 'release-
2
016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Páll
NVID
I
A
V
o
lta performance
t
weaks
commit
|
commitdiff
|
tree
2017-08-29
Szi
l
árd
P
áll
F
ix typo and tweak env var docs
commit
|
commitdiff
|
tree
2017-08-29
S
z
i
lárd
Páll
Avoid division by z
e
ro
is p
r
un
i
ng part calculation
commit
|
commitdiff
|
tree
2017-08-21
S
z
ilá
r
d
Páll
Add Open
C
L prun
i
ng
kernels and lau
n
ch
/
t
i
min
g
l
o
gic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd P
á
ll
Improv
e
awkw
a
rd handling of GMX_
C
UDA_
T
ARGET
*
h
e
l
p
commit
|
commitdiff
|
tree
2017-08-18
S
zil
á
rd Páll
Add CUDA
pruning k
e
r
n
e
l
s and l
a
unch
/
timing l
o
gic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
I
n
form users ab
o
ut the
end of run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Páll
Add ARM_NEON_AS
I
MD post-submit test
commit
|
commitdiff
|
tree
2017-06-21
Sz
i
l
á
rd Páll
Re-
e
nable
l
o
st D
D
warning + mi
n
o
r
code m
o
d
ern
i
zation
commit
|
commitdiff
|
tree
2017-06-20
S
zi
l
árd Pál
l
Re-ena
b
le accidentally lost DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szi
l
árd Páll
Refa
c
toring
+
cla
r
i
f
ic
a
t
i
on
o
f DLB
s
t
a
te handling
commit
|
commitdiff
|
tree
2017-06-15
S
z
i
l
árd Páll
Allow disabli
n
g the e
x
plicit u
s
e of CUDA
t
extures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Suppre
s
s sm_2x deprecation
w
a
rning
w
i
th CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd
P
ál
l
Add CUDA
8
.
0 + S
I
MD
p
re-submi
t
t
e
s
t
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Ad
d
ARM_NEON post-s
u
bmit t
e
st
commit
|
commitdiff
|
tree
2017-05-29
S
z
ilárd Páll
Quotes are cool
,
typo-free on
e
s are even "cooler"
commit
|
commitdiff
|
tree
2017-05-23
S
z
ilárd Páll
Add
basic doxygen f
o
r t
h
e
Verlet nonbo
n
ded module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Pá
l
l
Refactor CUDA ke
r
nel use
o
f
table
s
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Pá
l
l
Add
C
UD
A
u
til function fo
r
constant
l
oads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd
P
áll
Conditio
n
al
tweak in
t
h
e
n
o
nb
o
nded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Pál
l
Allow bypass
i
n
g OpenCL
device compatibility check
commit
|
commitdiff
|
tree
2017-03-16
Sz
i
lárd P
á
ll
P
r
in
t
code of unkno
w
n Ope
n
CL error
commit
|
commitdiff
|
tree
2017-03-09
Szilá
r
d Pál
l
Fi
x
mdrun hang
i
ng u
p
on exit with sep
P
ME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Pá
l
l
Remove unused argume
n
t i
n
G
PU kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Pál
l
Turn
o
ff hwloc
s
upport when stati
c
l
i
b
fou
n
d
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Correct kernel
launch
bo
u
nds for CUD
A
s
m
_
60
commit
|
commitdiff
|
tree
2016-11-01
Szilá
r
d Páll
Merge "Merge branch
release-201
6
"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Páll
GP
U
-rela
t
ed additions to the install/user g
u
ide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -c
l
-fast-relaxed-math def
a
ult
commit
|
commitdiff
|
tree
2016-10-26
Szilárd
Páll
Ad
d
GMX
_
D
ISABLE_G
P
U
_TI
M
ING env v
a
r
commit
|
commitdiff
|
tree
2016-10-09
Szilár
d
Páll
Correct ke
r
nel launch bounds for CU
D
A sm_
6
0
commit
|
commitdiff
|
tree
2016-08-27
S
z
i
l
árd
Páll
M
ake
AS
A
N
/
TSAN/MSAN b
u
ild types
easier
t
o discover
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d
P
áll
Ad
d
PDF met
a
data to the man
u
a
l
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d Páll
User guide clar
i
fications
commit
|
commitdiff
|
tree
2016-07-07
S
z
il
á
r
d Páll
Add user guide i
n
fo
on
C
UDA appli
c
ation
c
l
o
cks
commit
|
commitdiff
|
tree
2016-07-05
S
z
ilárd Páll
Document GMX_GPU_
A
PPLIC
A
TION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szil
á
rd Pá
l
l
D
i
sable NVIDIA
J
IT c
a
che
w
it
h
Ope
n
CL
commit
|
commitdiff
|
tree
2016-06-14
Szilár
d
Páll
Fix CUDA build with mu
l
ti
p
le
c
o
mpi
l
ati
o
n un
i
ts
commit
|
commitdiff
|
tree
2016-06-05
S
zilárd Páll
Add
s
u
pport for CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szil
á
rd Páll
Ad
d
en
v
.
var
.
to enable OpenCL cachi
n
g
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Fix Ope
n
CL binary c
a
che
f
ile na
m
e g
e
ner
a
tion
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Pál
l
Remove C
U
DA
h
os
t
compiler cons
i
s
te
n
c
y
che
c
ks
commit
|
commitdiff
|
tree
2016-04-28
Szil
á
rd P
á
ll
Workar
o
u
n
d for gcc false p
o
sitive warning
commit
|
commitdiff
|
tree
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