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Remove unused cmake files
2015-06-27
Szilard Pa
l
l
Fix CUDA arch
i
t
e
c
tu
r
e de
p
en
d
e
nt issues
commit
|
commitdiff
|
tree
2015-06-25
Sz
i
la
r
d
Pall
Add missing mac
r
o undef
in CUD
A
NB ke
r
nel
commit
|
commitdiff
|
tree
2015-06-21
S
z
ilard Pall
fix
CPU core oversubscri
p
t
ion detecti
o
n
commit
|
commitdiff
|
tree
2015-06-17
Szilard Pall
fix
m
i
no
r
C
U
D
A
NB kernel performance regression
commit
|
commitdiff
|
tree
2015-06-08
Sz
i
lard P
a
ll
a
d
d last
two GR
O
MACS
p
aper cit
a
tions
commit
|
commitdiff
|
tree
2015-06-06
Sz
i
lard Pall
O
p
t
imize atomic accumulation in CUDA NB
k
e
rnel
commit
|
commitdiff
|
tree
2015-05-15
Szilard P
a
ll
Asser
t
the size of non-bonded GPU work units
commit
|
commitdiff
|
tree
2015-05-14
S
zilard
Pal
l
Merge relea
s
e-4
-
6 in
t
o
r
e
l
ease-5-0
commit
|
commitdiff
|
tree
2015-05-13
Szilard Pall
Fix auto-downloaded regression test ex
e
cution
commit
|
commitdiff
|
tree
2015-01-16
Szilard P
a
ll
Improve and clarify m
d
run behav
i
or wit
h
n
steps<0
commit
|
commitdiff
|
tree
2014-12-10
Szilard
P
all
Fix nste
p
command
l
ine override p
r
int
commit
|
commitdiff
|
tree
2014-09-30
Szil
a
rd Pall
Fix i
n
co
r
rect
L
J
cut-o
f
f with GPU + PME tu
n
ing
commit
|
commitdiff
|
tree
2014-03-01
Szilard
P
all
Added CUDA L
J
-
P
ME nbnxn k
e
rnels
commit
|
commitdiff
|
tree
2014-02-28
Szilard Pal
l
Improved CUDA non-bond
e
d kernel per
f
ormance
commit
|
commitdiff
|
tree
2014-02-27
Szilard Pall
CUDA
ker
n
el
s
for s
w
it
c
hed LJ
commit
|
commitdiff
|
tree
2014-02-21
Szila
r
d Pall
portability asp
e
c
ts in install guide + m
i
nor twe
a
ks
commit
|
commitdiff
|
tree
2013-12-02
Szilard
P
a
ll
rem
o
ve legacy CUDA non-bond
e
d
kerne
l
s
commit
|
commitdiff
|
tree
2013-11-13
Szilard
P
all
Clarified GPU
selectio
n
outp
u
t a
n
d mdrun h
e
lp
commit
|
commitdiff
|
tree
2013-11-06
Szilard Pall
enable GPU sh
a
ring among tMPI ranks
commit
|
commitdiff
|
tree
2013-10-15
Szilar
d
P
all
m
a
k
e use of CU
D
A
stream prior
i
tie
s
commit
|
commitdiff
|
tree
2013-10-14
Szi
l
ard Pall
use CUDA te
x
ture objects w
h
en support
e
d
commit
|
commitdiff
|
tree
2013-09-29
S
z
i
la
r
d
Pall
allow compilation t
o
o
ptimiz
e
for
CUDA
c
ompute
c
ap
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
Szil
a
r
d
Pall
Adapted clang-AMD-F
M
A
work
a
round
f
or bo
t
h
C
a
n
d C++
commit
|
commitdiff
|
tree
2013-06-25
Szi
l
ard Pal
l
added CUDA comp
i
ler flags to version
h
eade
r
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pall
fi
x
t
h
re
a
d-safety
issue in af
f
in
i
t
y
la
y
ou
t
detectio
n
commit
|
commitdiff
|
tree
2013-05-30
Sz
i
lard Pall
add wo
r
karound for clang o
n
AMD with FMA
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pa
l
l
fix
t
hrea
d
offset + stride
c
hec
k
commit
|
commitdiff
|
tree
2013-05-27
Szilard Pall
minor
f
unct
i
on a
r
gument
cleanup
commit
|
commitdiff
|
tree
2013-04-17
Szilard Pall
CU
D
A PME kernels
w
i
th an
a
lyt
i
ca
l
Ewald correction
commit
|
commitdiff
|
tree
2013-01-24
Sz
i
lard Pal
l
added back
cuda
.
h in
c
l
u
des to fix missing CUDA_VER
S
ION
commit
|
commitdiff
|
tree
2013-01-18
Szilar
d
Pa
l
l
remo
v
e unnec
e
ssary
c
m
ake messages
commit
|
commitdiff
|
tree
2013-01-17
Szilard
P
all
don'
t
use polling with new dr
i
ver
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
t
ime the GPU f
o
rce
c
lea
r
ing async launch overhe
a
d
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
co
n
so
l
e and
l
o
g out
p
u
t improvem
e
nts
commit
|
commitdiff
|
tree
2013-01-02
Szilard Pall
improved repo
r
t
i
ng of failed affinity
s
etting
commit
|
commitdiff
|
tree
2012-12-20
Sz
i
l
ar
d
Pa
l
l
f
i
x inco
r
r
e
ct gmx_fat
a
l argument order
commit
|
commitdiff
|
tree
2012-12-18
S
z
i
l
ard Pal
l
iss
u
e error if GPU ID is provided with GPU
a
cc
.
off
commit
|
commitdiff
|
tree
2012-12-05
S
zilard Pall
don't warn duri
n
g configuring if no
GPUs were f
o
un
d
commit
|
commitdiff
|
tree
2012-12-05
Sz
i
lar
d
P
a
ll
fir
s
t ste
p
toward moving Open
M
M
support to contrib
commit
|
commitdiff
|
tree
2012-12-05
Szila
r
d
P
all
d
o
n
't auto
-
set nvcc host com
p
iler with
c
make
>2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Sz
i
lard Pall
force C++ l
i
nking of the gpu_utils
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
made er
r
o
r
s during G
P
U
detection non-
f
atal
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
f
i
x cmake re-running fai
l
ure i
n
troduced by ef
1
127f
commit
|
commitdiff
|
tree
2012-11-29
Szil
a
rd Pall
automation
f
or set
t
ing GMX_GPU & cm
a
ke GPU
d
etect
i
on
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pa
l
l
don'
t
print
nonbond
e
d kernel info with GMX_NO_NONBON
D
ED
commit
|
commitdiff
|
tree
2012-11-28
S
zi
l
ard
P
all
enable GP
U
emulation withou
t
G
P
U
su
p
p
ort
commit
|
commitdiff
|
tree
2012-11-28
Szilard Pall
use tMPI
A
PI for thre
a
d
affin
i
ty setting
commit
|
commitdiff
|
tree
2012-11-23
Szilar
d
Pall
rem
o
ved gr
o
up non-bonede
d
c
a
l
l
with ver
l
et scheme
commit
|
commitdiff
|
tree
2012-11-22
Szilard Pall
unset MPI detectio
n
le
f
t
o
ver cache varia
b
l
es
commit
|
commitdiff
|
tree
2012-11-19
Szi
l
ard Pall
always mark as advanced leftover FindCUDA
v
ariables
commit
|
commitdiff
|
tree
2012-11-09
Szilar
d
Pall
o
n
ly use
CPU_COUNT
if it's availab
l
e
commit
|
commitdiff
|
tree
2012-11-09
S
z
ilard Pall
also prefer
e
n
t
iate
.
lib with GMX_PREFER_ST
A
TIC_LIBS
commit
|
commitdiff
|
tree
2012-11-07
S
zilard Pall
auto-set nvc
c
h
o
st
c
ompiler
with FindMPI d
e
t
ection
commit
|
commitdiff
|
tree
2012-11-07
Szi
l
a
r
d
Pa
l
l
d
etect ext
e
rnally set CPU affin
i
ty
commit
|
commitdiff
|
tree
2012-11-02
Szil
a
rd Pall
don't execute any mpi_i
n
f
o/mpi
n
ame in
t
he
p
a
th
commit
|
commitdiff
|
tree
2012-10-31
S
zil
a
rd Pall
fix internal/ex
t
ernal OpenMP
thread a
f
finity cl
a
sh
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
fix
CUDA n
o
n-b
o
nded kernel
po
i
nter
a
ssignme
n
t
commit
|
commitdiff
|
tree
2012-10-02
Szilard Pall
a
d
d
e
d Verlet
scheme and NxN
n
on-bonded functionality
commit
|
commitdiff
|
tree
2012-09-03
Szilar
d
Pall
Merge branch 'release-4
-
5-pat
c
hes' into
r
e
lease
-
4-6
commit
|
commitdiff
|
tree
2012-06-27
Sz
i
lard Pall
fixes typo gmx_omp intro
d
uced by 69
7
bcdc
commit
|
commitdiff
|
tree
2012-06-25
Szilar
d
Pall
int
r
oduc
e
gmx_omp wrappe
r
f
or th
e
O
penMP API
commit
|
commitdiff
|
tree
2012-05-22
Szil
a
rd
P
all
added e
x
plic
i
t
sq
r
tf to the floa
t
ver
s
i
on of norm
commit
|
commitdiff
|
tree
2012-05-02
Szil
a
r
d
P
a
ll
removed -f
i
nline-functions from t
h
e re
l
ease
gcc flags
commit
|
commitdiff
|
tree
2012-04-26
Szilard Pall
Corrected
fou
r
ierspacing description
commit
|
commitdiff
|
tree
2012-04-19
Szilard Pall
compiler flag fixe
s
commit
|
commitdiff
|
tree
2012-04-18
Szilar
d
Pall
adde
d
missing #i
f
def around
#
include "t
h
re
a
d_mp
i
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pal
l
en
a
ble command line optio
n
che
k
ing in md
r
un
commit
|
commitdiff
|
tree
2012-03-28
Szilard
P
all
M
erge
branch 're
l
ease-4-5-patche
s
' into rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-03-14
Szilard
Pa
l
l
fi
x
ed ap
p
ending OpenM
P
compiler
o
ption to
flag
l
ist
commit
|
commitdiff
|
tree
2012-02-29
Sz
i
lard
Pall
Merge branch 'r
e
lease-4-5-patches'
i
nto
r
e
lea
s
e
-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szilard Pall
ren
a
med G
M
X_TH
R
EADS t
o
G
M
X_THREAD_M
P
I
commit
|
commitdiff
|
tree
2012-02-02
Szi
l
ard P
a
ll
fixed confus
i
n
g
nonbonded k
e
rnel
p
oin
t
e
r
in
i
tialization
commit
|
commitdiff
|
tree
2012-01-17
Szilard Pall
Fixed timing
m
easureme
n
ts
.
commit
|
commitdiff
|
tree
2011-04-08
Szila
r
d
Pall
fixed g_tune_pme to pas
s
corr
e
ctly boolean ar
g
uments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard Pall
added
cmake warning when the cach
e
generated on another
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilard Pall
f
i
xed buggy detection of hostn
a
m
e
and time of
build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard Pall
M
er
g
e bran
c
h
'
r
elease-4-5-p
a
tc
h
es'
o
f
git
.
gromacs
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pall
M
erge
b
ranch 'release-
4
-5-patch
e
s' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
S
zilard Pall
n
o
w
i
t's poss
i
b
le to run binaries in the build tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
rd Pall
Mer
g
e branch 'release-
4
-
5
-patche
s
' of
git
.
gromac
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
rd Pall
enable
d
GMX_PREFE
R
_ST
A
TIC_LIBS CMake opti
o
n for CYGWI
N
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fixed the default fo
r
OpenMM plugin dir loca
t
ion (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
all
fi
x
ed
m
a
ke install-mdrun is
s
ue (bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szila
r
d Pall
(re)added "-dev" suffix
f
or the CMake
h
a
rdc
o
d
e
d version
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
added CMake option
GMX
_
P
REFER_STATIC_LIBS
(also fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
S
z
il
a
rd Pall
fi
x
ed syn
t
ax error f
r
om
c
ommit bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
Szilard P
a
ll
improved
option
c
ompatibili
t
y che
c
king with OpenMM
commit
|
commitdiff
|
tree
2010-10-05
Szilard P
a
ll
imp
r
oved
o
ption compati
b
i
lity checking with OpenM
M
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pal
l
M
e
r
ge branch 'master' of git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-10-01
Sz
i
lard Pal
l
make ins
t
all-mdrun
now ins
t
alles s
h
ared li
b
s (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard Pall
Find
F
FT?[F] scripts
c
a
n
u
s
e a
path provided in
F
FTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-10
S
z
i
lard Pa
l
l
Merge branch
'ma
s
ter' of
g
it
.
gr
o
m
acs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-09-10
Szilard Pall
Mer
g
e r
e
m
ote bra
n
ch 'or
i
gin/release-4-
5
-
patches
'
commit
|
commitdiff
|
tree
2010-09-09
S
z
il
a
r
d
P
a
l
l
M
e
rge branch 'mast
e
r' of git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-09-09
S
zilard Pall
added gmx_membed
.
c to CM
a
keLis
t
s
.
txt for md
r
un
commit
|
commitdiff
|
tree
2010-09-08
S
zilard Pal
l
Merge b
r
a
nch 'release-4-
5
-patches'
commit
|
commitdiff
|
tree
2010-09-08
Szi
l
ard
Pa
l
l
F
i
xed
b
i
n
ary/
l
ib suffixing
inc
o
nsist
e
ncies (bug 539
)
commit
|
commitdiff
|
tree
2010-09-07
Szilar
d
Pall
f
ixed warning
s
caused b
y
some uni
n
itializ
e
d v
a
r
iables
commit
|
commitdiff
|
tree
2010-09-06
Szilard
Pall
Merge branch
'relea
s
e-
4
-
5-patches'
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mark a
d
va
n
c
e
d variables/options th
a
t are not rel
e
vant
.
.
.
commit
|
commitdiff
|
tree
next