repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fix FindCUDA.cmake for -Wundef
2016-09-07
Mark Abra
h
am
Versio
n
5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
a
ham
Removed HIS1 fr
o
m oplsaa and
charmm def
i
nition
s
commit
|
commitdiff
|
tree
2016-09-07
Mark Abra
h
am
Fix LYN char
g
es in amber03
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk
A
bra
h
a
m
Fix amber
0
3 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
M
ar
k
Abraham
Work arou
n
d g
l
i
b
c
2
.
2
3 with C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
M
ark Abraham
Stop u
s
ing gmx_f
a
t
a
l in g
r
ompp
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remove hac
k
s fo
r
outdated
BlueGene suppo
r
t
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k
Abrah
a
m
Merge branc
h
r
e
lease-2016
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k Abraham
Fix
e
s fo
r
BG/Q platform files
and insta
l
l guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abrah
a
m
Bump nu
m
b
er to prepare for fir
s
t patc
h
release
commit
|
commitdiff
|
tree
2016-08-04
Mark Abraham
Versi
o
n 2016
commit
|
commitdiff
|
tree
2016-07-29
Ma
r
k Abraham
Impro
v
e handling of
gmock a
n
d gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
M
e
rge
b
ra
n
ch release-5-1 into rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Ab
r
aham
A
d
d
toolchain flags for SS
E
2 compilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bu
m
ped
patch number
t
o
prepare for future 5
.
1
.
4
release
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix issu
e
s w
i
th using int
f
or
numbe
r
of st
e
ps
commit
|
commitdiff
|
tree
2016-07-13
M
a
rk
Abr
a
ham
Version
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abr
a
h
am
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Fix trr
magic
n
umber
r
e
a
d
ing
commit
|
commitdiff
|
tree
2016-07-11
Ma
r
k
Abraham
Fix gmx m
d
run -membed
-ntmpi
-
1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abrah
a
m
Fix regressiontes
t
downloa
d
md5su
m
commit
|
commitdiff
|
tree
2016-07-09
Ma
r
k Abraham
F
irst
2
016 releas
e
cand
i
dat
e
commit
|
commitdiff
|
tree
2016-07-08
Mark Abr
a
ham
M
e
rge branc
h
relea
s
e
-5-1 into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abr
a
ham
Si
m
plify SIMD
compiler f
l
ag construction
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move consistenc
y
ch
e
ck for nu
m
be
r
of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Fix build if libcuda is found but nvc
c
is
n
ot
commit
|
commitdiff
|
tree
2016-07-04
Mar
k
A
braham
Fixes for P
o
w
er
7
b
ig-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abraham
Fix use of _
P
O
SIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abraha
m
Merge branch release
-
5-1 into release-201
6
commit
|
commitdiff
|
tree
2016-06-29
Mark
Abraham
Re
f
act
o
r sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Work around gli
b
c 2
.
23 with CU
D
A
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update to inc
l
u
de a
g
cc 6
.
1 configuration
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Fix
S
IMD c
o
nfi
g
urat
i
on m
a
nageme
n
t
commit
|
commitdiff
|
tree
2016-06-27
Mark A
b
raham
Rem
o
v
ed u
n
nece
s
sary
i
n
t
er
-
simulation s
i
gnalling
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Merge b
r
anch release-5-1 into r
e
leas
e
-2016
commit
|
commitdiff
|
tree
2016-06-23
Mar
k
Abraham
M
e
r
ge branch
relea
s
e
-
2
016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Allow use of ext
e
rnal lmf
i
t
p
a
ckage
commit
|
commitdiff
|
tree
2016-06-23
M
a
rk A
b
rah
a
m
Prevent
use o
f
mdru
n
-maxh
-
multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraha
m
F
i
x configuration-time c
p
uinfo cod
e
commit
|
commitdiff
|
tree
2016-06-22
M
ark Abraham
Merge br
a
nch
r
elea
s
e-5-1 into rele
a
se-201
6
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abraham
Adjus
t
a
nd
document C++1
1
com
p
iler tests
commit
|
commitdiff
|
tree
2016-06-20
Mark Abraham
U
pdate
p
re-submi
t
matrix contents
commit
|
commitdiff
|
tree
2016-06-19
Mar
k
Abraham
Improve docs for linkin
g
stdlibc++ needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark A
b
raham
M
e
rge bra
n
ch release-5-1 into
release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Fix
m
ulti-sim + D
D
+ simple distance rest
r
a
i
nts
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find py
t
hon for docs build qui
e
tly
commit
|
commitdiff
|
tree
2016-06-08
Ma
r
k Abraham
M
e
r
ge branch release-5-
1
into
rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-06-07
Mark Abra
h
a
m
Re-a
d
d support for linki
n
g against externa
l
TinyXM
L
-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Ab
r
aha
m
Up
d
ates to d
o
cume
n
tation
commit
|
commitdiff
|
tree
2016-06-02
Mark Abr
a
ham
Fi
x
c
o
m
patibility with older CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark
A
b
r
a
h
am
Make mo
r
e C
M
ake variables ad
v
anc
e
d
commit
|
commitdiff
|
tree
2016-06-02
M
a
rk Ab
r
aha
m
Ignore stder
r
when
d
et
e
c
t
i
ng SIMD and build info
commit
|
commitdiff
|
tree
2016-05-31
Mark Abra
h
am
Fix refere
n
c
e to vmdio
.
c
t
o be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abra
h
am
Seco
n
d 2
0
16 beta relea
s
e
commit
|
commitdiff
|
tree
2016-05-29
M
ark Abraham
Simp
l
i
f
ied
a
nd
u
pdated Ope
n
CL compilation
commit
|
commitdiff
|
tree
2016-05-27
M
a
r
k
Abraham
Fi
x
readin
g
o
f b
o
nded t
a
bles
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
New
quote
commit
|
commitdiff
|
tree
2016-05-26
Mark Abr
a
ham
Merge branch rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-05-12
Mar
k
Abraham
Merge branch r
e
l
e
ase-5-1 int
o
r
e
lease-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abrah
a
m
G
ROMACS 2
0
16 beta1 rel
e
ase
commit
|
commitdiff
|
tree
2016-05-10
M
ark Abr
a
ham
Bump c
l
ang
s
tatic analyzer to version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraha
m
Minor update t
o
sphinx depend
e
ncy
commit
|
commitdiff
|
tree
2016-05-10
Mark
A
braham
Fa
c
ilitate linking
w
ith libcxx
commit
|
commitdiff
|
tree
2016-05-08
Ma
r
k Abraham
Fixes fo
r
c
lang 3
.
7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fix cons
t
a
nts, uni
t
s
a
n
d
conversion fac
t
ors
commit
|
commitdiff
|
tree
2016-04-27
Mark
Abraham
Merge
b
ranch
releas
e
-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark A
b
raham
Re
p
lace libxml
2
with tinyxml2 for use in test co
d
e
commit
|
commitdiff
|
tree
2016-04-19
Mark Abr
a
ham
Fi
x
parse_
d
igits_from_s
t
ri
n
g
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k Abr
a
ham
Fix md
p
l
abel generation
commit
|
commitdiff
|
tree
2016-04-18
Mark Abrah
a
m
R
educe c
o
mpilation coupling of SIMD module
commit
|
commitdiff
|
tree
2016-04-14
Mark Abrah
a
m
Me
r
ge
branch
r
elea
s
e
-
5-1
commit
|
commitdiff
|
tree
2016-04-01
M
a
rk A
b
raham
Revert to t
r
eating
-
1
as "
g
enerate a see
d
"
i
n
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Ma
r
k Abraha
m
Add test and im
p
roved docs for custom checkSeq
u
ence
commit
|
commitdiff
|
tree
2016-03-30
Mark Ab
r
aham
Clean up vsit
e
code
commit
|
commitdiff
|
tree
2016-03-19
Mark
A
braham
Add more const c
o
rr
e
c
t
nes
s
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraha
m
Fix w
a
r
ning from GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
I
mpr
o
ved
s
ome
mdrun integration tes
t
s
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Warn about OpenMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark Abra
h
am
Fix typo i
n
Fouri
e
r dihe
d
r
al equation
commit
|
commitdiff
|
tree
2016-03-15
Ma
r
k
Abrah
a
m
M
er
g
e
bran
c
h release-5-0 into release-5
-
1
commit
|
commitdiff
|
tree
2016-03-12
Ma
r
k
A
br
a
ham
Update use o
f
isnan in linearal
g
ebr
a
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraham
Fi
n
d hwlo
c
quietly if it
'
s a
l
ready been f
o
und
commit
|
commitdiff
|
tree
2016-03-11
M
a
rk Abraham
A
dd infrast
r
u
c
t
u
r
e for tests
to compare mdru
n
s
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraha
m
M
erge b
r
a
nch
r
elease-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mar
k
Abraham
Require 2015
version for MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mark Abraham
A
d
d S
E
T
TLE u
n
it te
s
ts
commit
|
commitdiff
|
tree
2016-02-26
Mark Abraham
Separated tes
t
of CDATA
e
nd tag
handlin
g
from others
commit
|
commitdiff
|
tree
2016-02-23
Mar
k
Abraham
Repl
a
ce cppcheck suppre
s
s
ion i
n
chec
k
point code
commit
|
commitdiff
|
tree
2016-02-22
Mark
A
b
r
aham
Move init
of specialized
d
yn
a
mical algorithms
t
o do_md
commit
|
commitdiff
|
tree
2016-02-21
Mar
k
Abr
a
h
a
m
Separate table cons
t
ructi
o
n
commit
|
commitdiff
|
tree
2016-02-19
Mar
k
A
b
raham
Merge bran
c
h release-5-
1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraham
Make both ftp a
n
d http links
f
or s
o
urce
download
commit
|
commitdiff
|
tree
2016-02-18
M
a
rk Abra
h
am
U
p
dated r
e
ference man
u
al
text abou
t
PME
t
uning
commit
|
commitdiff
|
tree
2016-02-16
Mark Abraha
m
Merge branch releas
e
-5-0 into rel
e
as
e
-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mark Abraham
Re-
g
enerate
d
eps for figure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark Abra
h
am
Re
-
remove *_stoch
d
_state function dec
l
a
rations
commit
|
commitdiff
|
tree
2016-02-10
Mark Abra
h
am
Improved update_coor
d
s
h
a
ndling
of xprime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Fi
x
i
s
s
u
e
s to up
d
ate cppchec
k
su
p
po
r
t
t
o 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mark Abrah
a
m
Merge branch release-5-0 int
o
release-5-1
commit
|
commitdiff
|
tree
2016-02-06
M
ar
k
A
braham
M
erge
b
ranc
h
release-5-
1
commit
|
commitdiff
|
tree
next