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remove unnecessary cmake messages
2013-01-18
Szilard Pall
remove unn
e
cess
a
ry cmake mes
s
a
ges
commit
|
commitdiff
|
tree
2013-01-11
Szi
l
ard Pall
t
i
me the
G
PU fo
r
c
e
c
learing
as
y
nc launch overhead
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
console a
n
d lo
g
output improve
m
en
t
s
commit
|
commitdiff
|
tree
2013-01-02
Szilard Pa
l
l
improved reporting of failed affi
n
ity se
t
ting
commit
|
commitdiff
|
tree
2012-12-20
S
zilard Pal
l
fi
x
i
n
correct
g
mx_
f
atal arg
u
ment orde
r
commit
|
commitdiff
|
tree
2012-12-18
Sz
i
lard Pall
issu
e
error if GPU ID is
p
rovide
d
w
ith GPU acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szilar
d
P
all
don
'
t warn during configur
i
ng if no
GP
U
s were found
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don't auto-set nvcc host compile
r
w
ith cmake >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-23
Mark Abraham
Updates to CMake tr
e
a
t
ment
of OpenMP
commit
|
commitdiff
|
tree
2012-11-22
Szi
l
a
rd Pall
unset MPI detection leftover cache variab
l
es
commit
|
commitdiff
|
tree
2012-11-09
Szilard
P
all
only use
C
PU_COUNT if
it's available
commit
|
commitdiff
|
tree
2012-11-09
Szilar
d
Pall
also prefe
r
entiat
e
.
lib wi
t
h
GMX_PREFER
_
STATIC_LIBS
commit
|
commitdiff
|
tree
2012-11-07
Szila
r
d Pall
auto-s
e
t nvcc
h
ost comp
i
ler with FindMPI detection
commit
|
commitdiff
|
tree
2012-11-02
Sz
i
l
ard Pa
l
l
don't exec
u
te any mp
i
_
i
nf
o
/mp
i
n
a
me in
t
h
e
p
ath
commit
|
commitdiff
|
tree
2012-10-02
Szilard P
a
ll
added Verlet scheme a
n
d NxN non-bonded
f
unctionality
commit
|
commitdiff
|
tree
2012-09-03
Szilard P
a
ll
Merge branch 'release-4-5-pa
t
ch
e
s' into r
e
lease-4
-
6
commit
|
commitdiff
|
tree
2012-06-25
S
zilard Pall
introduce gmx_omp
wrapper for
the Op
e
nM
P
AP
I
commit
|
commitdiff
|
tree
2012-05-22
S
z
i
lard Pall
added exp
l
ici
t
sqrtf to the float versio
n
of norm
commit
|
commitdiff
|
tree
2012-05-02
Szilard Pall
r
e
moved -f
i
nline-functions from t
h
e release g
c
c fla
g
s
commit
|
commitdiff
|
tree
2012-04-26
S
zil
a
rd Pall
C
orre
c
ted fourierspacing descri
p
tion
commit
|
commitdiff
|
tree
2012-04-19
S
zilard
Pall
co
m
piler flag fixes
commit
|
commitdiff
|
tree
2012-04-18
Szil
a
rd
P
al
l
added missing #ifdef around #include "thread_mpi
.
h
"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pall
enable comman
d
li
n
e option cheking in
mdrun
commit
|
commitdiff
|
tree
2012-03-28
Szilard Pall
Merge br
a
nch '
r
elease-4-
5
-patches' into re
l
ease-4-6
commit
|
commitdiff
|
tree
2012-03-20
Rol
a
nd Schul
z
F
i
x
i
n
c
orrect fclose usage
commit
|
commitdiff
|
tree
2012-03-14
Szilard Pall
fixed appending
O
penMP compiler op
t
i
o
n to flag list
commit
|
commitdiff
|
tree
2012-02-29
Szilard
P
all
Mer
g
e b
r
anch 'releas
e
-4-5-patches' into release-4-6
commit
|
commitdiff
|
tree
2012-02-02
Szil
a
rd P
a
ll
fixed confusing nonbonded kernel p
o
inter initial
i
zation
commit
|
commitdiff
|
tree
2012-02-02
Roland Schulz
Merges
i
n thre
a
ding branch as one squa
s
hed commit
commit
|
commitdiff
|
tree
2012-01-17
S
z
i
lar
d
P
a
ll
F
i
xed timi
n
g measurements
.
commit
|
commitdiff
|
tree
2011-04-08
Szil
a
rd
P
all
f
i
xed g_tune_p
m
e
to
pass corre
c
t
l
y boolean arguments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard Pall
a
d
ded cmake
w
arning when the cache generated on a
n
o
ther
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
S
z
ilard P
a
ll
fixed
buggy d
e
tection of h
o
stname
a
nd time of build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard Pall
Merge
b
ranch 'rel
e
ase
-
4
-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pal
l
Merge branch 'release-4-5-p
a
tches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilar
d
Pall
now it's possible to run
bin
a
ries in
t
he build t
r
ee
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilard Pall
Merge branch
'release-4-5-pat
c
hes'
of git
.
gromacs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
enabled GMX_PRE
F
ER_
S
TATI
C
_LI
B
S CMa
k
e opt
i
on for CYGW
I
N
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fixed the
defa
u
lt for
OpenMM plugin
dir locatio
n
(bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilar
d
P
all
f
i
xed
m
ake install-
m
drun issue
(bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
all
(re)add
e
d
"
-
dev"
s
u
f
fix for the
CMake h
a
rd
c
oded v
e
r
sion
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Sz
i
lard Pa
l
l
added CMake opt
i
o
n
GM
X
_PREFER_STAT
I
C_LIB
S
(a
l
so fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szila
r
d
P
all
fixed
s
yntax
e
rror from comm
i
t bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
Sz
i
lard Pall
i
m
proved option co
m
patibility checking
w
ith Op
e
nMM
commit
|
commitdiff
|
tree
2010-10-01
Szila
r
d
Pa
l
l
m
ake
i
nstall-mdrun
n
ow installes
s
hared
l
ibs (fi
x
f
o
r
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
S
z
ilard Pa
l
l
FindFFT?[
F
] s
c
ripts ca
n
use a
p
a
th provided in FFTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed binary/lib suffixi
n
g inconsistencies (bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard P
a
ll
fixed
wa
r
nings
c
aused by som
e
uninitialized v
a
riables
commit
|
commitdiff
|
tree
2010-09-06
Szilar
d
Pa
l
l
Mark
a
dvan
c
e
d
va
r
iables/
o
ptions t
h
at a
r
e
not relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
S
z
i
lar
d
Pall
Ma
r
k advanced GMX_BINARY_
S
UFFIX a
n
d
GMX_LI
B
S_S
U
FFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pall
U
pda
t
ed list of supp
o
rted G
P
Us
commit
|
commitdiff
|
tree
2010-08-31
Sz
i
l
a
rd
Pall
M
e
rge
branch 'release-4-5-patches' of git://g
i
t
.
g
r
omacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard
P
all
I
m
proved o
p
tion d
i
s
abling on
s
witch
i
ng t
o
Op
e
nMM
b
uil
d
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szi
l
a
r
d
Pall
fixed/imp
r
oved cm
a
ke FFTW
3
de
t
ection
commit
|
commitdiff
|
tree
2010-08-03
S
z
i
l
ard Pa
l
l
minor addition
to previus
g
c
c
4
.
1
.
x
d
is
a
bling commit
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
Removed gcc 4
.
1
.
x
check as bug 431 turned
o
ut
t
o
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szila
r
d
Pa
l
l
a
dditio
n
a
l fix to commit c5d62af07d01b8, now
libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
Merge bra
n
ch 'm
a
ster' of
g
it@git
.
g
ro
m
ac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-24
S
zilard Pall
cmake suppor
t
for us
e
r-define
d
binary prefixes,
c
u
sto
m
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pa
l
l
Merge branch 'mast
e
r' of gi
t
@
g
i
t
.
g
romacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-20
Sz
i
l
a
rd Pall
Fixed GCC ver
s
ion c
h
ecking in
c
m
ake
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
Merge
b
ranch 'ma
s
ter
'
of g
i
t
@
gi
t
.
gr
o
macs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pal
l
fixed
minor bug in
openmm_wrapper
.
c
p
p
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
a
l
l
Im
p
l
e
mented
(
buggy) gcc 4
.
1
.
x check i
n
cma
k
e
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed w
a
rnings in gmx_gpu
_
u
t
i
ls and openmm_wrapper
commit
|
commitdiff
|
tree
2010-06-10
S
zilard
P
all
Mer
g
e b
r
anch '
m
a
s
t
e
r' of
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard
P
a
ll
fixe
d
logging output i
n
do_md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilar
d
Pa
l
l
Merge branch 'master' of git@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Szilard
Pall
M
e
rge branch 'master' of git@git
.
g
r
om
a
cs
.
o
rg:gro
m
acs
commit
|
commitdiff
|
tree
2010-06-01
Szilar
d
Pall
fixed Op
e
nMM inte
r
action type che
c
k
commit
|
commitdiff
|
tree
2010-05-31
Szilard
P
all
min
o
r f
i
xes in d
i
tribution files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Me
r
ge bra
n
ch
'
mas
t
er' o
f
git@git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-31
Szilard P
a
l
l
Updated
R
EA
D
ME a
n
d INSTALL files
,
adde
d
R
E
ADME-GP
U
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fixed typo in C
M
a
k
e
L
ists for
mdrun-g
p
u
commit
|
commitdiff
|
tree
2010-05-30
Szila
r
d Pal
l
OpenMM: added combination
ru
l
e ch
e
ck, disabled
r
e
straint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Fix fo
r
MSVC linking and release-bu
i
ld OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard
Pall
Fixed some
c
ompiler wa
r
i
n
igs, mi
n
or
b
ugs and document
a
ti
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Sz
i
l
a
r
d Pal
l
Merge b
r
anch '
m
aster' of git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-05-19
Sz
i
lard Pall
fixed
t
he P
M
E t
o
lerance "
a
djustm
e
nt" for
OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pal
l
M
e
rge bra
n
c
h
'm
a
ster' o
f
git@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard Pall
Fix in ope
n
mm_wrap
p
er w
h
ich ma
k
es it
w
or
k
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
fixed s
i
g
n
al ha
n
dling in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d Pall
M
e
rge branch 'ma
s
ter' of git@git
.
g
r
oma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
mi
n
o
r
fixes in documentation + some
debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
add
e
d os-specific defines from cmake requir
e
d by memtes
t
G
8
0
commit
|
commitdiff
|
tree
2010-05-10
Sz
i
lard Pall
MSVC fi
x
f
o
r
g
m
x
_para
l
l
e
l
_
3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilar
d
Pall
only issue op
e
nmm
constri
n
ts warnin
g
i
f
constra
i
nsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
Merg
e
b
ranch 'master' o
f
g
i
t
@g
i
t
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard
Pall
tempo
r
ary
f
ix for compilation error with GMX_OP
E
NMM=ON
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard
Pall
M
e
r
g
e branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard
Pall
Merge branc
h
'mas
t
er' of git
@
git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
added gromacs file he
a
ders to
the OpenM
M
-
r
elated
f
iles
commit
|
commitdiff
|
tree
2010-05-07
S
z
il
a
rd Pal
l
minor
fi
x
es, documentation and slight API change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lar
d
Pall
minor
u
pda
t
es
t
o FindGit and Find
O
pen
M
M
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
updated FindCUDA to version f
r
om
cmake 2
.
8
.
1
f
or CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
Merge branch 'master'
o
f g
i
t
@
g
it
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-04-20
S
z
ilard Pall
d
o
xygen c
o
mment
s
for
the OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilard P
a
ll
a
d
d
e
d documentatio
n
f
or t
h
e
openmm
_
wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pal
l
formatting fix of
o
penmm wr
a
pp
e
r
- gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
c
l
e
aned up a bunch
o
p
m
ess in do_md_o
p
enmm
commit
|
commitdiff
|
tree
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