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Add CUDA compiler support for CC 5.0
2014-09-30
Szilard Pall
Fix
incor
r
ect LJ
cut-
o
ff with GPU + PME tuning
commit
|
commitdiff
|
tree
2014-03-01
Szil
a
r
d Pa
l
l
Added CUDA LJ-PME
n
bn
x
n kernels
commit
|
commitdiff
|
tree
2014-02-28
Szilard Pall
Improved CUDA non-bonded ker
n
el performa
n
ce
commit
|
commitdiff
|
tree
2014-02-27
Szilard
Pall
CUDA kernels
for switche
d
L
J
commit
|
commitdiff
|
tree
2014-02-21
Szilard
P
a
l
l
portab
i
lity aspects i
n
install guide + minor tweaks
commit
|
commitdiff
|
tree
2013-12-02
Szilard Pall
remo
v
e
legacy CUD
A
non-bonded k
e
rnels
commit
|
commitdiff
|
tree
2013-11-13
Szilard Pall
C
l
arified GPU sele
c
ti
o
n outp
u
t and mdrun help
commit
|
commitdiff
|
tree
2013-11-06
S
zi
l
ard
Pa
l
l
enabl
e
GPU
s
hari
n
g am
o
ng tMPI
r
a
n
k
s
commit
|
commitdiff
|
tree
2013-10-15
S
z
ilard Pall
make use of CUDA str
e
am p
r
iorities
commit
|
commitdiff
|
tree
2013-10-14
Szila
r
d Pa
l
l
use CUDA texture
objects
when supported
commit
|
commitdiff
|
tree
2013-09-29
Szil
a
rd
Pall
al
l
o
w com
p
ilation to optimize fo
r
CUDA compute
c
ap
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
Szilard Pall
Ad
a
pted clang-AM
D
-FMA wor
k
ar
o
und f
o
r bo
t
h
C
and C++
commit
|
commitdiff
|
tree
2013-06-25
Sz
i
l
ard Pall
a
d
ded CUDA compiler flags to versi
o
n
header
commit
|
commitdiff
|
tree
2013-05-30
Szil
a
rd Pal
l
f
i
x
thread-saf
e
t
y is
s
u
e i
n
a
f
fini
t
y layout detection
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pall
add workaround for clang on AMD
with F
M
A
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pall
f
i
x thread
o
ffset
+
stride
c
heck
commit
|
commitdiff
|
tree
2013-05-27
Szilard Pall
mino
r
function a
r
gume
n
t cleanup
commit
|
commitdiff
|
tree
2013-04-17
Szi
l
ard Pa
l
l
CU
D
A PME k
e
rnels with analytical
Ewald correctio
n
commit
|
commitdiff
|
tree
2013-01-24
Szilard
Pa
l
l
added b
a
ck cuda
.
h i
n
cludes t
o
fix missing CUDA_VERSION
commit
|
commitdiff
|
tree
2013-01-18
Szi
l
a
rd Pall
remove unne
c
es
s
ary cmake messages
commit
|
commitdiff
|
tree
2013-01-17
Szilard
P
all
don't use poll
i
ng with new drive
r
commit
|
commitdiff
|
tree
2013-01-11
Szila
r
d
Pall
time the G
P
U f
o
rce clearin
g
async la
u
nch ove
r
h
ead
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
console and log output improvements
commit
|
commitdiff
|
tree
2013-01-02
Szilard P
a
ll
i
mpr
o
v
ed reporti
n
g of failed affin
i
ty settin
g
commit
|
commitdiff
|
tree
2012-12-20
Szila
r
d Pall
f
i
x incorrec
t
gmx_fatal argument o
r
der
commit
|
commitdiff
|
tree
2012-12-18
Szilard
P
all
issue error if
GPU ID is pr
o
vide
d
w
i
t
h GPU acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don't warn during con
f
igur
i
ng if n
o
GPUs
w
e
re found
commit
|
commitdiff
|
tree
2012-12-05
Szila
r
d Pa
l
l
first step toward moving OpenMM s
u
pport t
o
contri
b
commit
|
commitdiff
|
tree
2012-12-05
Szi
l
ard Pall
don't auto-set nvcc host
compiler
w
ith cmake >
2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szilard Pall
force C++
l
inking of the gpu_
u
tils
commit
|
commitdiff
|
tree
2012-11-29
Szi
l
a
r
d P
a
l
l
made errors du
r
i
n
g GPU
d
etection n
o
n-fatal
commit
|
commitdiff
|
tree
2012-11-29
S
zilard Pal
l
fix
cmake re-running
failure introduced
b
y ef1127f
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pa
l
l
autom
a
tion for setting GMX_GPU &
cmake GPU detection
commit
|
commitdiff
|
tree
2012-11-29
Szilard
Pall
don't pr
i
nt nonbonded kernel info with
G
MX_NO_NON
B
O
N
DED
commit
|
commitdiff
|
tree
2012-11-28
Szilard
Pall
enable GPU emulation withou
t
GPU support
commit
|
commitdiff
|
tree
2012-11-28
Szilard
P
a
l
l
use t
M
PI API for thread affin
i
ty setting
commit
|
commitdiff
|
tree
2012-11-23
Szi
l
ard Pall
r
emoved group non-bone
d
e
d
ca
l
l with verlet
s
ch
e
me
commit
|
commitdiff
|
tree
2012-11-22
Szila
r
d Pall
unset MPI detection leftover c
a
che
v
ariables
commit
|
commitdiff
|
tree
2012-11-19
Szilard Pall
always mark as advance
d
leftover FindCUDA variab
l
es
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pall
o
n
ly u
s
e CPU_C
O
UNT if
i
t'
s
avail
a
ble
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pall
a
l
so
preferentiate
.
li
b
w
i
th
G
MX_P
R
E
FER_STAT
I
C_LIBS
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
a
u
to-s
e
t nvcc h
o
st comp
i
ler
w
ith FindMPI detection
commit
|
commitdiff
|
tree
2012-11-07
Szilar
d
Pall
detect externall
y
set CPU affini
t
y
commit
|
commitdiff
|
tree
2012-11-02
Szilard Pall
don't execute any mpi_info
/
mpinam
e
i
n the path
commit
|
commitdiff
|
tree
2012-10-31
Sz
i
lard
P
all
fix inte
r
nal/
e
xternal
O
penMP thread affinity clash
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
f
ix CUDA no
n
-
b
on
d
ed kernel po
i
nter assign
m
e
n
t
commit
|
commitdiff
|
tree
2012-10-02
S
z
ilard Pall
ad
d
ed Verlet scheme and N
x
N non-bond
e
d functi
o
n
a
l
ity
commit
|
commitdiff
|
tree
2012-09-03
Szilard Pall
Merge
branch
'
release-4-5-pa
t
ches' into release
-
4-6
commit
|
commitdiff
|
tree
2012-06-27
Szila
r
d Pall
f
i
xes typo gmx_
o
mp
i
ntroduced by 697bcd
c
commit
|
commitdiff
|
tree
2012-06-25
Szilard
P
all
introduce gmx_omp wrapper
f
or
the OpenMP API
commit
|
commitdiff
|
tree
2012-05-22
Szilard Pall
added explicit sqrtf to the float version of nor
m
commit
|
commitdiff
|
tree
2012-05-02
Szilar
d
Pall
remov
e
d -finline-functions
from th
e
release
gcc flags
commit
|
commitdiff
|
tree
2012-04-26
Szila
r
d
Pall
Correc
t
e
d
fo
u
riers
p
ac
i
ng de
s
cript
i
on
commit
|
commitdiff
|
tree
2012-04-19
S
z
ilard
Pal
l
compiler flag fi
x
e
s
commit
|
commitdiff
|
tree
2012-04-18
Szilard Pall
a
dded
m
issing #ifdef
a
round #include "t
h
r
ead_mpi
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilar
d
P
a
ll
enab
l
e com
m
and li
n
e op
t
ion
c
heking in mdrun
commit
|
commitdiff
|
tree
2012-03-28
Szilard Pall
Mer
g
e branch 'release-4
-
5-patches' into release-4-6
commit
|
commitdiff
|
tree
2012-03-14
Szilard Pall
f
i
xed a
p
pending OpenMP compiler optio
n
t
o flag list
commit
|
commitdiff
|
tree
2012-02-29
Sz
i
lar
d
Pall
Merge branch 'r
e
lease-4-5-p
a
tches' into releas
e
-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szilard Pall
renam
e
d GMX_TH
R
EADS to GMX_THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-02
Sz
i
lard Pa
l
l
f
i
xed confusing nonbonded kern
e
l
pointer initiali
z
ation
commit
|
commitdiff
|
tree
2012-01-17
Szilard Pall
F
i
xed timing
mea
s
urements
.
commit
|
commitdiff
|
tree
2011-04-08
Szilard Pall
fix
e
d g_t
u
ne_
p
me
to pa
s
s correct
l
y boolean arguments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard Pall
adde
d
cmake
warning wh
e
n the ca
c
he gene
r
a
t
ed on anoth
e
r
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilard Pall
f
i
xed buggy dete
c
t
ion of hostname and time
o
f build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
S
z
ilard Pal
l
Merge br
a
nch '
r
elease-4-5-patches' of git
.
grom
a
c
s
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
S
zilard Pal
l
Me
r
ge bra
n
c
h 'release
-
4-5-patches
'
of g
i
t
.
g
r
o
mac
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilard Pal
l
now it
'
s
p
ossib
l
e to run
binaries in
t
he build tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard P
a
ll
Merge branch
'
r
el
e
ase-4-5-patches
'
of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilard Pall
enabled GM
X
_PREF
E
R
_STATIC_LIB
S
C
M
ak
e
option for
C
Y
GWIN
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pa
l
l
fixe
d
the defa
u
l
t for OpenM
M
plugin d
i
r location
(
bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
a
ll
fixed make
install-mdrun issue (bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Sz
i
lar
d
Pall
(re)added "-dev" suffix for the CMake ha
r
dcoded version
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
added C
M
ak
e
optio
n
GM
X
_PREFER_STATIC_LIBS (also
f
ixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szilard Pall
fixed syn
t
ax erro
r
fro
m
commit bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
Szilard
P
al
l
improved optio
n
compatibility checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pall
impro
v
ed optio
n
comp
a
ti
b
ility checki
n
g
with OpenMM
commit
|
commitdiff
|
tree
2010-10-05
Szi
l
ard Pa
l
l
Merg
e
bran
c
h 'master'
o
f git
.
gro
m
a
c
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-10-01
S
zilard
Pall
ma
k
e
i
nsta
l
l-mdrun now installes sha
r
ed libs (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
S
zilard Pall
FindFF
T
?[F] scri
p
ts c
a
n use
a
path provide
d
in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-10
Szilard Pall
M
e
r
ge branc
h
'
m
aster' of git
.
gr
o
m
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-09-10
Szila
r
d
Pall
Merge r
e
mote b
r
anch '
o
rigin
/
release-4-5-patches'
commit
|
commitdiff
|
tree
2010-09-09
Szi
l
ard Pall
Merge branch 'master
'
of g
i
t
.
gromac
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-09-09
Szilard Pall
added
g
m
x_membed
.
c
t
o CMakeLists
.
txt
f
o
r mdrun
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Merge branch 'release-4-5-patches'
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed bin
a
r
y
/
lib suffixi
n
g i
n
consistencies (bug 539)
commit
|
commitdiff
|
tree
2010-09-07
S
zilard P
a
l
l
fixed warn
i
ng
s
cau
s
ed by s
o
me u
n
initial
i
zed variab
l
es
commit
|
commitdiff
|
tree
2010-09-06
S
z
i
l
ar
d
Pall
M
e
rge
branch '
r
elea
s
e-4-5-p
a
tches'
commit
|
commitdiff
|
tree
2010-09-06
S
z
i
l
ard Pall
Mark advanced
v
ar
i
able
s
/options that
are n
o
t relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Sz
i
lard
P
all
M
a
rk ad
v
anced GMX_BINARY_SUFFIX and
GMX_LIBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pall
Updated list of supported
GPUs
commit
|
commitdiff
|
tree
2010-08-31
S
z
ilar
d
P
all
M
erge branch 're
l
ease
-
4-5-
p
a
t
ches' o
f
gi
t
://git
.
gromac
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
ilard P
a
ll
Improved option disabling on switching
t
o OpenMM bui
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
fixed/improved cmake FFTW3 d
e
t
ecti
o
n
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pal
l
Mer
g
e
b
ra
n
ch 'r
e
lease
-
4-5-patches'
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
minor addition
to p
r
evius gcc 4
.
1
.
x disabl
i
ng commit
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pa
l
l
Merge branch 're
l
ease-4-5-pa
t
ches'
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pa
l
l
R
emoved gcc 4
.
1
.
x che
c
k as bug 431 turned out to be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard P
a
ll
additiona
l
fix to
c
ommit c5d62af07d01b
8
, now lib
m
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
Merge bra
n
ch 'master'
o
f git@
g
i
t
.
gr
o
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
next