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Autogenerate gromacs.7 from programs.txt
2012-07-07
Ro
l
a
nd Sc
h
ulz
Autog
e
n
era
t
e gro
m
acs
.
7 fr
o
m programs
.
txt
commit
|
commitdiff
|
tree
2012-07-05
Rol
a
nd Schulz
Don't r
e
run checks
a
nd be quiet 2nd t
i
me cmake is run
commit
|
commitdiff
|
tree
2012-06-28
Roland
S
c
h
ulz
Allow also FindM
P
I
f
or cma
k
e<2
.
8
.
5
commit
|
commitdiff
|
tree
2012-06-28
Rolan
d
Schulz
Fix MPI build for MPI
l
ibrary wit
h
out mpi wrapper
commit
|
commitdiff
|
tree
2012-06-26
Ro
l
and Sch
u
lz
Fix tha
t
r
erunning c
m
ake gives the same result a
s
1st
r
u
n
commit
|
commitdiff
|
tree
2012-06-24
Roland Sc
h
u
l
z
Fix mdp_opt formatt
i
ng of ex
p
a
n
d
ed ensemble
commit
|
commitdiff
|
tree
2012-06-24
Roland Sc
h
ulz
Remo
v
e MPI defi
n
e for
FAH
commit
|
commitdiff
|
tree
2012-06-01
R
o
land Schulz
Merge release-4-5-patc
h
es into rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-06-01
R
o
land
S
chulz
R
e
p
lace our fft
p
ack version w
i
th N
u
mpy's version
commit
|
commitdiff
|
tree
2012-05-27
Ro
l
an
d
Schulz
Fix editco
n
f real-bool
m
isus
a
ge
commit
|
commitdiff
|
tree
2012-05-27
R
o
land Schulz
Fix Clang 3
.
1 warning
commit
|
commitdiff
|
tree
2012-05-23
Roland
S
c
h
ulz
Fix that siga
c
ti
o
n mask wasn't zer
o
ed
commit
|
commitdiff
|
tree
2012-05-23
R
oland Sc
h
ulz
Cod
e
clea
n
up to
a
v
o
id na
m
e coll
i
sions
commit
|
commitdiff
|
tree
2012-05-22
Roland Sch
u
lz
Use Ext
e
rn
a
l
B
LAS/LA
P
ACK
by defaul
t
commit
|
commitdiff
|
tree
2012-05-18
Ro
l
and Schu
l
z
Rename BOOL to EBOOL
commit
|
commitdiff
|
tree
2012-05-16
Rol
a
nd Schulz
Fi
x
ing more clang warnings
commit
|
commitdiff
|
tree
2012-05-08
Roland Sch
u
lz
F
ixing
m
o
re Clang warnings
commit
|
commitdiff
|
tree
2012-05-01
Roland Schulz
Fix Windows specific cma
k
e hacks
commit
|
commitdiff
|
tree
2012-04-30
Ro
l
and
S
chulz
Fix
g
mxdump error introduced by 553d4b136
9
commit
|
commitdiff
|
tree
2012-04-29
R
o
land Schulz
Disable Op
e
n
MP for llvm-gcc 4
.
2
.
x
commit
|
commitdiff
|
tree
2012-04-29
Roland Sc
h
u
lz
Merge release-4-5
-
pat
c
hes in
t
o release-4-6
commit
|
commitdiff
|
tree
2012-04-29
Ro
l
a
nd Schulz
Don'
t
enable ASM
if no
a
sm ker
n
el is selected
commit
|
commitdiff
|
tree
2012-04-29
Roland Sch
u
lz
Me
r
ge r
e
lease-
4
-5-patches in
t
o releas
e
-4-6
commit
|
commitdiff
|
tree
2012-04-28
B
erk Hess
fixed PME forces with FE, fixes #929 in
t
roduc
e
d in
.
.
.
commit
|
commitdiff
|
tree
2012-04-28
Rolan
d
Schulz
Fi
x
srene
w
/sfr
e
e_aligned
m
isuse in PME
commit
|
commitdiff
|
tree
2012-04-27
R
oland Schulz
Remove checks based on Genera
t
or
commit
|
commitdiff
|
tree
2012-04-27
Roland
Schulz
Fix for sig
a
c
t
ion
commit
|
commitdiff
|
tree
2012-04-22
Roland Sc
h
ulz
Resol
v
in
g
a
co
u
p
le of clang analyzer war
n
ings
commit
|
commitdiff
|
tree
2012-04-16
R
oland Schu
l
z
Res
t
a
r
t IO
operations w
h
e
n
i
nterrupter by sign
a
l
commit
|
commitdiff
|
tree
2012-04-11
R
oland Schulz
Fix
t
hat
d
irect
o
ry is not mistak
e
n for
b
i
nar
y
commit
|
commitdiff
|
tree
2012-04-06
Rola
n
d Schulz
F
i
x domain decomp
o
sition s
e
t
up for
>
46k cores
commit
|
commitdiff
|
tree
2012-04-03
R
olan
d
Schulz
M
e
rge remote-trac
k
ing branch 'gerrit/rele
a
se-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-03-27
Roland Schulz
Resolvi
n
g c
l
a
ng
analyzer wa
r
n
ings i
n
analysis
commit
|
commitdiff
|
tree
2012-03-26
Rola
n
d Sch
u
lz
Wa
r
n
when a value
is unused
commit
|
commitdiff
|
tree
2012-03-21
Roland
S
chulz
R
e
m
ov
i
ng unused code
commit
|
commitdiff
|
tree
2012-03-16
Ber
k
Hess
f
i
xed incor
r
ect t
a
ble allocation
commit
|
commitdiff
|
tree
2012-03-16
Roland S
c
hulz
Me
r
ge rel
e
ase-4-5-patches into release-4-
6
commit
|
commitdiff
|
tree
2012-03-15
Ro
l
and S
c
hulz
Fix mos
t
e
r
r
or
s
found by cpp
c
heck
commit
|
commitdiff
|
tree
2012-03-10
Roland Sch
u
l
z
Activating more G
C
C warnings
commit
|
commitdiff
|
tree
2012-03-10
Rola
n
d Sc
h
ulz
Fix
t
ypo i
n
C
lang CFlags
commit
|
commitdiff
|
tree
2012-03-04
Roland Sch
u
l
z
Min
i
mal support for Clang
commit
|
commitdiff
|
tree
2012-02-23
Roland Schulz
Merge remot
e
-tracking branch 'gerrit/rel
e
as
e
-4-5
-
p
atches
.
.
.
commit
|
commitdiff
|
tree
2012-02-21
Ro
l
a
n
d Sc
h
ulz
Use
G
it server (m
i
rro
r
) to avoid fe
t
c
hing probl
e
ms
commit
|
commitdiff
|
tree
2012-02-09
S
zilard Pall
r
enamed GMX_TH
R
E
A
DS to GMX_THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-08
Rolan
d
Schulz
M
e
rge r
e
mo
t
e-tracking branch 'gerrit/releas
e
-
4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-05
R
oland Sc
h
ulz
Fix ICC on Windows
B
u
i
l
d
commit
|
commitdiff
|
tree
2012-02-03
Roland Schulz
Mer
g
e remote-track
i
n
g bra
n
ch
'
gerrit/release-4
-
5-
p
at
c
hes
.
.
.
commit
|
commitdiff
|
tree
2012-02-01
Mark Abraham
Fixed error me
s
sage t
o
identify
th
e
correct file
commit
|
commitdiff
|
tree
2012-01-31
Roland Sch
u
l
z
Append all ICC Perform
a
n
ce flags
o
nl
y
to Release
Flags
commit
|
commitdiff
|
tree
2012-01-31
Roland S
c
hulz
Fix s
i
gned/unsign
e
d warn
i
n
gs
commit
|
commitdiff
|
tree
2012-01-19
Roland Schulz
Merge release-4
-
5-patches into release-4-6
commit
|
commitdiff
|
tree
2012-01-18
Roland
S
ch
u
lz
New a
p
proa
c
h
for
Gerrit
B
uil
d
script
commit
|
commitdiff
|
tree
2012-01-13
Roland Schulz
R
e
movi
n
g outdated vs
i
te comme
n
t
commit
|
commitdiff
|
tree
2011-12-26
Rolan
d
Sc
h
ulz
Merge
remote
-
tracki
n
g branch 'gerrit/release-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
R
oland Schulz
Me
r
ge release-4-5-patches
i
nto relea
s
e-4-6
commit
|
commitdiff
|
tree
2011-12-15
Roland S
c
hulz
Using MinSizeRel configuration and Re
l
e
ase t
a
rget on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Rol
a
n
d Schulz
Testing e
x
ternal
B
L
AS/LAP
A
CK
commit
|
commitdiff
|
tree
2011-12-15
Roland Schul
z
Using 2 cores per build o
n
W
indows
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
Merg
e
release-4-5-patches i
n
to rel
e
ase-4-6
commit
|
commitdiff
|
tree
2011-12-11
Roland
S
c
hulz
Set -DMPI o
n
ly if
compil
e
d
for FAH
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
F
i
x
i
ng MSVC unsign
e
d/signed warni
n
gs
commit
|
commitdiff
|
tree
2011-12-10
Ro
l
and Schulz
Run
tests also on Win
d
ows
commit
|
commitdiff
|
tree
2011-12-09
Rol
a
nd Schulz
Only ch
e
ck th
o
se atoms for PBC whic
h
are part of
s
election
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
Roland Sch
u
lz
Remove RETSIGTYPE
.
C89
d
efin
e
s return v
a
lue to be voi
d
.
commit
|
commitdiff
|
tree
2011-12-03
Roland Schulz
Adding support for Win
d
ows build a
n
d different CMa
k
e
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
R
o
land Schulz
Addin
g
supp
o
rt fo
r
Windows buil
d
and diffe
r
e
n
t C
M
ake
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
Roland Schu
l
z
Adding Gerr
i
t
B
u
i
ld
d
escription
commit
|
commitdiff
|
tree
2011-11-30
R
oland Schulz
Adding
G
errit Build description
commit
|
commitdiff
|
tree
2011-11-30
Rola
n
d
Schulz
Removin
g
T
estBuildAll test
commit
|
commitdiff
|
tree
2011-11-28
Ro
l
and Schulz
F
ix FFTW API usage
commit
|
commitdiff
|
tree
2011-11-27
R
o
land Sch
u
lz
M
e
rge re
m
o
te-track
i
ng br
a
nch
'gerr
i
t/release-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
Roland Sc
h
ul
z
Removing TestBuildAll test
commit
|
commitdiff
|
tree
2011-11-25
R
o
land Sch
u
lz
Cl
e
aning up s
o
me bad
cod
i
ng practices
commit
|
commitdiff
|
tree
2011-11-24
Roland Schu
l
z
Initi
a
lize
v
a
riables to make GCC
4
.
6 not com
p
lain
commit
|
commitdiff
|
tree
2011-11-24
Mark Abr
a
h
am
Only a
n
alys
e
angle t
r
ansiti
o
ns
for dihedr
a
l angles
commit
|
commitdiff
|
tree
2011-11-24
Mark Abraham
Added protective preprocess
o
r d
i
rec
t
ives
commit
|
commitdiff
|
tree
2011-11-23
Roland Schulz
Adde
d
an option to easily
c
ompile contrib programs
.
.
.
commit
|
commitdiff
|
tree
2011-10-14
Roland Sc
h
ulz
call to gmx_mtop_gener
a
te_local
_
t
op is only requ
i
red
.
.
.
commit
|
commitdiff
|
tree
2011-10-11
Alexey Shvetsov
U
p
dated gr
o
mpp
.
mdp for t
u
tor/water
commit
|
commitdiff
|
tree
2011-10-11
Roland Schulz
Fix
e
s
M
P
I_G
R
OUP
_
EMPTY f
o
r
tMPI
commit
|
commitdiff
|
tree
2011-10-05
Rolan
d
Schulz
Only c
r
eate
group if p
a
r
t
of load com
m
unicator and
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Ro
l
and S
c
hul
z
M
ake su
r
e that
f
tell
wo
r
k
s
correc
t
ly for files opened
.
.
.
commit
|
commitdiff
|
tree
2011-05-15
Rola
n
d
Schulz
corrected typo: if(errno=EINVAL)
commit
|
commitdiff
|
tree
2011-02-04
Roland
S
chulz
using set
_
mm_p
s
t
o
make
pgi happy
commit
|
commitdiff
|
tree
2010-11-08
Ro
l
and Sc
h
ulz
making erro
r
message
f
or vmdio clea
r
e
r (bug
59
8
)
commit
|
commitdiff
|
tree
2010-11-04
Rol
a
nd Sch
u
lz
print more information in
c
ase of lock error
commit
|
commitdiff
|
tree
2010-10-13
Roland
S
chulz
make sure that th
e
MANPATH is n
o
t se
t
t
o
o
nly G
M
XM
A
N
PATH
commit
|
commitdiff
|
tree
2010-10-11
R
o
land
S
chulz
fixed spell
i
ng
commit
|
commitdiff
|
tree
2010-10-08
Roland Schulz
fixed locking
o
f
log
file -
b
roken by d750b9ce
commit
|
commitdiff
|
tree
2010-10-07
Roland
Sch
u
lz
adde
d
a comme
n
t ab
o
ut a
s
sumptio
n
s of al
i
g
n
e
d memory
commit
|
commitdiff
|
tree
2010-10-04
Roland Schul
z
fix broken c
h
e
ck fo
r
dlop
e
n
(by Christ
o
ph Junghans
.
.
.
commit
|
commitdiff
|
tree
2010-10-01
Roland Schulz
fix FFTW3
i
nte
r
face for non aligned
m
emor
y
commit
|
commitdiff
|
tree
2010-09-30
Roland Sc
h
ulz
made v
m
dio work with
o
l
der api version (e
.
g
.
vmd 1
.
.
.
commit
|
commitdiff
|
tree
2010-09-27
Roland Schu
l
z
include
"
e
r
r
or
.
h
" was n
o
t
n
ec
c
e
s
sary and caused proble
m
s
.
.
.
commit
|
commitdiff
|
tree
2010-09-26
Roland Schulz
1
) gmx_fio_s
e
ek was not returnin
g
correc
t
re
t
urn
value
.
.
.
commit
|
commitdiff
|
tree
2010-09-23
Rol
a
nd Sch
u
lz
v
mdio r
e
ad th
e
b
ox but didn't mark
i
t
as beeing
read
.
.
.
commit
|
commitdiff
|
tree
2010-09-19
Roland S
c
hulz
fixed
box vector
r
ead in
v
m
dio
commit
|
commitdiff
|
tree
2010-08-26
Roland Schu
l
z
Rever
t
"Pa
r
enthesis aro
u
nd com
p
arisons and
n
o <= or
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Rol
a
nd Sch
u
lz
fix logic to conve
r
t GMX_
I
NTEGE
R
_BI
G
_ENDIAN to
ARC
H
_IS
_
BIG_E
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Roland Schulz
Parenth
e
si
s
around compariso
n
s
a
nd no <=
o
r
>
= for xlc
commit
|
commitdiff
|
tree
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