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Fix CUDA being quiet and mark all CUDA_* as advanced
2013-01-07
Roland S
c
hulz
Fix CUDA be
i
ng quiet and mark
a
ll
CUDA_* as advance
d
commit
|
commitdiff
|
tree
2012-12-22
Roland S
c
hulz
Add
m
i
ssing vis
i
b
ility exports
commit
|
commitdiff
|
tree
2012-12-19
Roland Schulz
Merge "Fix license te
x
t printed by programs
.
" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Ro
l
a
n
d Sc
h
ulz
Merge changes Idc652236
,
If03cf
5
69 into re
l
ea
s
e-4-6
commit
|
commitdiff
|
tree
2012-12-19
Roland Schulz
Merge "i
s
sue error if G
P
U
I
D
i
s provided with GP
U
acc
.
.
.
commit
|
commitdiff
|
tree
2012-12-09
Roland Schulz
Merge "fixed
GPU pair
-
searc
h
wit
h
G
M
X_
C
PU_ACCELE
R
ATION
.
.
.
commit
|
commitdiff
|
tree
2012-12-09
Roland Schulz
Me
r
ge "Fix build o
f
template and other
e
xte
r
nal code
.
.
.
commit
|
commitdiff
|
tree
2012-12-08
Rol
a
n
d
Sc
h
ulz
Fix compilatio
n
with PGI
commit
|
commitdiff
|
tree
2012-12-06
Roland Schulz
Make SSE4
.
1
warning clearer
commit
|
commitdiff
|
tree
2012-12-05
Roland Schulz
Merge "fixed segv in
Verlet pair-search wit
h
trilini
c
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
R
o
l
an
d
Schu
l
z
M
e
r
ge "fi
x
ed
i
ncorrect virial with v
i
rtual
s
ites and
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
Rol
a
nd Sc
h
u
l
z
Remove
T
EST_TMPI_A
T
O
M
I
CS_ON
L
Y
commit
|
commitdiff
|
tree
2012-11-28
Rolan
d
Sch
u
lz
Merge "Remo
v
e
C
V
S
f
iles
"
into release-4-6
commit
|
commitdiff
|
tree
2012-11-28
Roland Schulz
Fix cpack
s
rc ignor
e
rule
commit
|
commitdiff
|
tree
2012-11-28
Rolan
d
Schulz
Fix:
p
thre
a
d variables were overwritten by gmxMan
a
g
e
GPU
commit
|
commitdiff
|
tree
2012-11-28
Roland
Schulz
Fix C
P
ACK_SOURCE_IGNOR
E
_FILES
commit
|
commitdiff
|
tree
2012-11-28
Roland Schulz
Print error
i
f no t
h
read support i
s
ava
i
labl
e
commit
|
commitdiff
|
tree
2012-11-27
Roland Schu
l
z
Fix Win
d
ow-GPU build
commit
|
commitdiff
|
tree
2012-11-27
Ro
l
and Schulz
Remove CVS fil
e
s
commit
|
commitdiff
|
tree
2012-11-27
R
o
land Schulz
Add v
i
sib
i
lity defin
e
s
commit
|
commitdiff
|
tree
2012-11-26
Roland
Sch
u
lz
Merge release-4-5-
p
atches i
n
to re
l
e
a
se-4-6
commit
|
commitdiff
|
tree
2012-11-26
Roland Schulz
Merge "Clean
up some
m
athemat
i
cal constants" i
n
to re
l
ease-
4
-
6
commit
|
commitdiff
|
tree
2012-11-24
R
o
land Schul
z
Us
e
s
t
a
t
f
or gmx_
i
s_file
.
F
i
x get_libd
i
r with
s
ymlinks
.
commit
|
commitdiff
|
tree
2012-11-23
Roland Schul
z
M
e
r
g
e
"
removed group non-boneded call w
i
th verle
t
scheme
.
.
.
commit
|
commitdiff
|
tree
2012-11-23
Roland Sc
h
ulz
Merge "imp
r
ove Find
G
ROMA
C
S
.
cmake" in
t
o
release-4-6
commit
|
commitdiff
|
tree
2012-11-23
Roland Sc
h
ulz
F
o
rce
C
++ linki
n
g o
f
the g
p
u_u
t
i
ls
commit
|
commitdiff
|
tree
2012-11-23
Rola
n
d Sch
u
lz
Merge change
s
I88f0dcef,I86
b
2a8cf,I70f
b
7
e6d into
rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-11-20
Roland Schulz
Fix CXX/C mismat
c
h of flag/macro for gmxC
F
lags
commit
|
commitdiff
|
tree
2012-11-20
Rolan
d
Schulz
Merg
e
relea
s
e
-
4
-
5
-patches in
t
o
releas
e
-4
-
6
commit
|
commitdiff
|
tree
2012-11-20
R
oland Schulz
F
ix CXX/C mismatch of flag/macro for g
m
xCF
l
ags
commit
|
commitdiff
|
tree
2012-11-19
Rol
a
nd Schu
l
z
M
e
rge chan
g
es Ibc5
5
5d88,Iaf6f
3
051 into release-4-6
commit
|
commitdiff
|
tree
2012-11-19
Roland Schulz
Add CMAKE_PREFIX
_
PATH to cmake-gui
commit
|
commitdiff
|
tree
2012-11-19
Rolan
d
Schulz
Merge "Remove
d
oubl
e
de
c
larati
o
n in he
a
ders
"
i
nto relea
s
e
-
4-6
commit
|
commitdiff
|
tree
2012-11-18
Roland Schulz
Fix G
M
X_TEST_CFLAG bug with ac
c
eleration fla
g
s
commit
|
commitdiff
|
tree
2012-11-18
Roland
S
c
hulz
Fi
x
bugs in gmxCFlags
commit
|
commitdiff
|
tree
2012-11-17
Roland Schul
z
Rename
r
e
maining
G
MX_ACCELERATI
O
N
to
G
MX_CPU
_
A
C
CELERATION
commit
|
commitdiff
|
tree
2012-11-17
Roland Schulz
Remo
v
e double
declaration in hea
d
e
r
s
commit
|
commitdiff
|
tree
2012-11-17
Ro
l
a
n
d
S
chulz
Mer
g
e "Removing Zn and Ar non
-
OPLS ato
m
types" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Roland Schulz
Removing Zn and
A
r non-O
P
LS atom type
s
commit
|
commitdiff
|
tree
2012-11-16
Rol
a
nd
S
c
hu
l
z
R
e
moves unuse
d
files
commit
|
commitdiff
|
tree
2012-11-15
Ro
l
and Schulz
Verify that FFT
W
ca
n
be us
e
d
w
i
th sh
a
red
libraries
commit
|
commitdiff
|
tree
2012-11-14
Rolan
d
Schulz
Fi
n
dF
F
TW
:
K
eep checking pkg_confi
g
until fftw is fou
n
d
commit
|
commitdiff
|
tree
2012-11-12
Roland Schul
z
Te
s
t that
compili
n
g
a
nd link
i
ng
of
A
VX works
commit
|
commitdiff
|
tree
2012-11-12
Roland Schulz
Allow to disa
b
le u
s
age of rdt
s
cp
commit
|
commitdiff
|
tree
2012-11-12
Roland Schulz
M
e
r
g
e
"
B
a
ckport Thre
a
dMPI
.
cmake ve
r
sion from master
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Roland Schulz
Merge "n
b
nxn CPU
f
orc
e
buffer reducti
o
n now use
s
S
I
MD
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Roland Schulz
B
ackport Thread
M
P
I
.
cmake version from master
commit
|
commitdiff
|
tree
2012-11-11
R
o
land Schulz
Fix FMA4 compile
f
or GCC and MSVC
commit
|
commitdiff
|
tree
2012-11-10
Roland S
c
hu
l
z
M
erge "Fix
broken manual fo
r
matting" i
n
to
r
e
lease-
4
-
6
commit
|
commitdiff
|
tree
2012-11-10
Roland S
c
hu
l
z
F
i
x g_msd -mol
commit
|
commitdiff
|
tree
2012-11-09
Roland Schul
z
F
ix c
o
mp
o
n
e
nt fo
r
l
i
bcudart
commit
|
commitdiff
|
tree
2012-11-08
Rolan
d
Schulz
Mer
g
e "Fixed bug
i
n the ne
w
swi
t
ch-modifie
d
interactions
.
.
.
commit
|
commitdiff
|
tree
2012-11-06
Roland Schu
l
z
F
i
x cmake er
r
o
r if c
o
mp
i
ler st
a
rts wit
h
blank
line
commit
|
commitdiff
|
tree
2012-11-06
Roland Schulz
Merge
"Clarifi
c
ation of md
p
_
opt, add
n
s
texpa
n
d
defaults
.
.
.
commit
|
commitdiff
|
tree
2012-11-05
Roland Schulz
A
dd option to install
l
ibcudart
commit
|
commitdiff
|
tree
2012-11-03
R
o
land Schulz
M
erge release
-
4
-5-
p
atches into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-11-02
Rola
n
d Schulz
M
erge
all Licen
s
e
/
COPYING
files into one and install it
commit
|
commitdiff
|
tree
2012-11-01
Roland Schulz
Fix DEB/RPM cpack
generation
commit
|
commitdiff
|
tree
2012-10-30
Roland Schulz
F
i
x
t
hat
no Open
M
P flags a
r
e used
w
i
th GM
X
_OPENMP=no
commit
|
commitdiff
|
tree
2012-10-27
Roland Schu
l
z
Set HAVE_FSE
E
KO
c
onsist
e
n
tly in one place
commit
|
commitdiff
|
tree
2012-10-26
Roland Schulz
Fi
x
usage of CMA
K
E_REQUIR
E
D_*
commit
|
commitdiff
|
tree
2012-10-26
Roland Schulz
M
erge
"
f
ixed
incorrect PME load balancing
l
imitation
.
.
.
commit
|
commitdiff
|
tree
2012-10-26
Roland Schulz
Merge "set the
default for n
s
tdhdl to
1
00" into release-4
-
6
commit
|
commitdiff
|
tree
2012-10-25
Roland Schulz
M
e
r
ge "fix
CU
D
A n
o
n-bonded kern
e
l
p
o
inter
assignment
.
.
.
commit
|
commitdiff
|
tree
2012-10-23
Rol
a
nd Schulz
Mer
g
e "moved part of
n
bnxn_search
.
c to
n
b
n
x
n_atomdata
.
.
.
commit
|
commitdiff
|
tree
2012-10-23
Roland Schulz
Merge "fixe
d
i
n
correct LJ e
n
ergy with G
P
U an
d
PME l
o
a
d
.
.
.
commit
|
commitdiff
|
tree
2012-10-23
R
o
l
and Sc
h
ul
z
R
eplace
s
printf with snprintf to
ma
k
e safe
commit
|
commitdiff
|
tree
2012-10-23
Rola
n
d Schulz
Merge "ad
d
ed OpenMP parallelization
for virtual
s
ites
.
.
.
commit
|
commitdiff
|
tree
2012-10-22
R
olan
d
Schulz
Fix mi
n
or OpenMP issue fo
r
m
d
-v
v
update
commit
|
commitdiff
|
tree
2012-10-22
Rolan
d
Schulz
F
i
x
cl
a
ng 3
.
2 u
n
intialized var
i
able w
a
rnings
commit
|
commitdiff
|
tree
2012-10-19
Roland Sc
h
ulz
M
e
rge "
[
tools] Allow g
_
dist to use default index
group
.
.
.
commit
|
commitdiff
|
tree
2012-10-19
Roland Schulz
F
i
x large fi
l
e support
commit
|
commitdiff
|
tree
2012-10-19
Roland Schulz
Merge "renamed pme_s
w
it
c
h
.
.
.
to pme_loa
d
bal
.
.
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-10-18
Roland Schulz
Merge "
A
d
d
ed thread affinity API to thread_mp
i
.
" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-10-17
Roland Sch
u
l
z
F
ixed
P
u
lp Fiction quote
commit
|
commitdiff
|
tree
2012-10-16
R
oland Schulz
M
e
rge "made p
a
ir-se
a
rch wit
h
GPU 20
%
fas
t
er
"
i
nto
re
l
eas
e
-4
-
6
commit
|
commitdiff
|
tree
2012-10-12
Roland Schul
z
Fix il
l
egal ba
r
rier in worksharing
commit
|
commitdiff
|
tree
2012-10-10
Roland Sch
u
l
z
Ma
k
e Gromacs compile with
o
ut C++ compiler
commit
|
commitdiff
|
tree
2012-10-06
Roland Schulz
Fi
x
incorrec
t
fre
e
commit
|
commitdiff
|
tree
2012-10-01
R
oland Schulz
Merge rele
a
se-4-5-p
a
tches in
t
o release-4-6
commit
|
commitdiff
|
tree
2012-09-30
Roland Schulz
Fix
p
roblems fou
n
d by cp
p
check 1
.
56
commit
|
commitdiff
|
tree
2012-09-13
Rol
a
n
d
Schulz
Back
p
ort of md-vv r
e
run check from
c7a82654f2eb8992
commit
|
commitdiff
|
tree
2012-09-12
R
oland Schulz
S
e
t valid
b
u
il
d
informatio
n
if g
m
x_d
e
t
e
c
t
c
pu fa
i
l
s
commit
|
commitdiff
|
tree
2012-09-10
Rol
a
nd Schulz
M
erge "Update use of CPack c
o
mponen
t
s and ad
d
insta
l
l
.
.
.
commit
|
commitdiff
|
tree
2012-09-06
Ro
l
and Schulz
Fix illegal call to MPI without being
i
n
i
tialized
commit
|
commitdiff
|
tree
2012-09-06
Roland Sc
h
ulz
Me
r
g
e "Fixed
.
g96 trajecto
r
y readi
n
g
.
" into r
e
l
e
ase
.
.
.
commit
|
commitdiff
|
tree
2012-09-06
Ro
l
a
n
d Schulz
Don't fa
i
l li
n
king if man page
building fails
commit
|
commitdiff
|
tree
2012-09-05
Roland Schu
l
z
Che
c
k
t
hat gmx_
d
etectcpu
r
u
ns
correc
t
ly
commit
|
commitdiff
|
tree
2012-09-03
Roland S
c
h
u
lz
Fix VMD plugi
n
s on Windows
commit
|
commitdiff
|
tree
2012-09-02
Rol
a
nd Schulz
Fix
s
t
ack erro
r
in gr
o
mpp
commit
|
commitdiff
|
tree
2012-08-30
Roland Sc
h
ulz
Fixes too many bac
k
up fi
l
es for *
.
n
roff files
commit
|
commitdiff
|
tree
2012-08-18
R
o
land Schulz
Mer
g
e "
f
ix AdRe
s
S and long
-
range
electros
t
atics warning
.
.
.
commit
|
commitdiff
|
tree
2012-08-16
Roland S
c
h
u
lz
F
i
x coor
d
inate is ze
r
o check in
gmxcheck
commit
|
commitdiff
|
tree
2012-08-11
Roland
S
chulz
Mak
e
GCC OpenM
P
libraries static
i
f GMX_PRE
F
ER_ST
A
TIC
_
OPENMP
commit
|
commitdiff
|
tree
2012-08-11
Roland
S
c
hulz
Gua
r
antee OpenMP flags for linker and make
them
user
.
.
.
commit
|
commitdiff
|
tree
2012-08-05
Roland
Schulz
Remove share/tuto
r
commit
|
commitdiff
|
tree
2012-08-04
Ro
l
a
n
d Schu
l
z
M
e
rge
"Fixed
s
e
gv in essential
dynamics module
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-08-03
Rol
a
nd Schul
z
Fix ove
r
lapping memcpy
commit
|
commitdiff
|
tree
2012-08-01
Ro
l
a
nd Schul
z
Fix use after free memory er
r
o
r with adre
s
s
commit
|
commitdiff
|
tree
2012-07-29
Roland Schul
z
Fix S
e
gfaults in Genion
commit
|
commitdiff
|
tree
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