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Move consistency check for number of threads
2016-07-07
M
a
rk Abr
a
ham
M
o
ve con
s
isten
c
y check for n
u
mber of threads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abrah
a
m
Fix build if libcuda is
found but nvc
c
is
n
o
t
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraham
Fixes
f
or Power7
b
ig-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abrah
a
m
F
ix u
s
e
o
f _POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mar
k
Abraham
Merge br
a
nch
r
elease-5
-
1
i
n
to
r
e
l
ease-
2
0
16
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Refactor
s
ysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
W
ork aroun
d
glibc 2
.
23 with
C
UDA
commit
|
commitdiff
|
tree
2016-06-28
Mar
k
Abraham
Update to include a g
c
c 6
.
1 conf
i
guratio
n
commit
|
commitdiff
|
tree
2016-06-28
Mark
A
braham
Fix SIMD conf
i
g
u
ration managemen
t
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Re
m
oved unnecessary inter-simu
l
a
tion s
i
g
n
all
i
ng
commit
|
commitdiff
|
tree
2016-06-27
Mark Abrah
a
m
M
e
rge branch releas
e
-5-1 into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-23
M
a
rk
Abraham
Allow
u
se of external lmfit p
a
ckage
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Prevent use
o
f mdrun -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Fix configuration-
t
ime cpuinfo code
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abraham
Merge branch relea
s
e-5-1 i
n
to relea
s
e-2
0
16
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Adjust
a
nd document C++1
1
compiler tests
commit
|
commitdiff
|
tree
2016-06-20
M
a
rk A
b
raham
Update pre-submit matr
i
x contents
commit
|
commitdiff
|
tree
2016-06-19
Mark Abraham
Improve docs for
l
inkin
g
stdlibc++ n
e
eded by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abr
a
ham
M
erge
b
ran
c
h
r
eleas
e
-5-1 into rele
a
se-
2
016
commit
|
commitdiff
|
tree
2016-06-17
Mar
k
Ab
r
aham
Fix
mu
l
ti-sim
+ D
D
+
s
imple d
i
s
tance res
t
rain
t
s
commit
|
commitdiff
|
tree
2016-06-10
M
a
rk Abraham
Find
p
ytho
n
for docs build q
u
ietly
commit
|
commitdiff
|
tree
2016-06-08
Mar
k
Abra
h
a
m
M
erg
e
br
a
nch release-5-1 into release-20
1
6
commit
|
commitdiff
|
tree
2016-06-07
Mark Ab
r
aham
Re-
a
d
d
support
for li
n
king against external Tiny
X
ML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Ab
r
a
ham
Updates to
d
o
cu
m
ent
a
tion
commit
|
commitdiff
|
tree
2016-06-02
Mark
Ab
r
aham
Fix comp
a
ti
b
ilit
y
with ol
d
e
r CMake
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k Abraham
Mak
e
more C
M
ake vari
a
bles a
d
van
c
ed
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
I
g
n
ore stderr when detectin
g
SIMD and b
u
i
ld info
commit
|
commitdiff
|
tree
2016-05-31
Mark A
b
r
a
h
am
Fix reference to
v
md
i
o
.
c
to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark A
b
r
aham
Second 2016 beta releas
e
commit
|
commitdiff
|
tree
2016-05-29
M
ark Abra
h
am
Si
m
plified and updated Op
e
nCL
co
m
p
i
l
a
tion
commit
|
commitdiff
|
tree
2016-05-27
M
a
rk Abraham
Fix reading of b
o
nded
tables
commit
|
commitdiff
|
tree
2016-05-26
M
a
r
k
Abraham
New quot
e
commit
|
commitdiff
|
tree
2016-05-12
Mark A
b
r
a
ham
Merge b
r
anc
h
re
l
ease-5-1 into
rel
e
ase-201
6
commit
|
commitdiff
|
tree
2016-05-12
M
a
rk
A
b
raham
GROMA
C
S
2
0
16 beta1 release
commit
|
commitdiff
|
tree
2016-05-10
M
ark Abraham
Bu
m
p clang static analy
z
er to versi
o
n
3
.
8
commit
|
commitdiff
|
tree
2016-05-10
M
a
rk A
b
raham
Minor update to sphin
x
depend
e
ncy
commit
|
commitdiff
|
tree
2016-05-10
M
ark Abraham
Facilitate linking with libc
x
x
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraha
m
Fixes for cl
a
n
g 3
.
7
o
n
P
owerPC
commit
|
commitdiff
|
tree
2016-05-08
Ma
r
k Abraham
Fix constants, units and conversion fac
t
ors
commit
|
commitdiff
|
tree
2016-04-27
Mark
Abraham
M
e
rge branch release-
5
-
1
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k Abraham
Replace libxml2 with
tinyxml2 fo
r
use i
n
test
c
ode
commit
|
commitdiff
|
tree
2016-04-19
Mark
Abraham
Fix
p
a
r
se_digits
_
fr
o
m
_
s
tring
commit
|
commitdiff
|
tree
2016-04-19
Mark Abrah
a
m
Fix
m
d
p label generation
commit
|
commitdiff
|
tree
2016-04-18
Mark Abr
a
ham
Re
d
u
c
e c
o
mpilation couplin
g
of SI
M
D m
o
dule
commit
|
commitdiff
|
tree
2016-04-14
Mark A
b
r
aham
Merge branch
release-5-1
commit
|
commitdiff
|
tree
2016-04-01
Ma
r
k A
b
raham
Revert to treating -1 as "
g
enerat
e
a see
d
" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mar
k
Abra
h
am
A
d
d test
a
nd i
m
proved docs for cus
t
om checkSeque
n
ce
commit
|
commitdiff
|
tree
2016-03-30
Mark A
b
raham
C
l
ean up vsite code
commit
|
commitdiff
|
tree
2016-03-19
Mark Ab
r
aham
Add mo
r
e c
o
nst
c
o
rrectne
s
s
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
F
i
x warning f
r
om GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
I
m
prove
d
some mdrun integration
te
s
t
s
commit
|
commitdiff
|
tree
2016-03-18
Ma
r
k A
b
r
a
ham
Warn about
O
p
enMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
M
ark Abraham
Fix t
y
po
i
n Fourier dihedral equation
commit
|
commitdiff
|
tree
2016-03-15
Mark
Abraham
Merge
b
ranch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-12
Mark Abra
h
a
m
Update use of i
s
nan
in linearalgebra
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraham
Find
h
wloc quiet
l
y if
it's
already been found
commit
|
commitdiff
|
tree
2016-03-11
Mark A
b
raham
A
dd infrastructure for
t
ests to c
o
mpare mdru
n
s
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraham
Merge
b
ranch r
e
lease-5
-
0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mark Abra
h
am
Require
2
0
1
5 version for MS
V
C
commit
|
commitdiff
|
tree
2016-03-05
Mark Abraham
Ad
d
S
ET
T
L
E
unit
tests
commit
|
commitdiff
|
tree
2016-02-26
Mark Abraham
Separated te
s
t of C
D
ATA end tag handling from other
s
commit
|
commitdiff
|
tree
2016-02-23
Ma
r
k
A
b
raham
Repl
a
c
e
cppcheck suppression
i
n
c
h
eckp
o
int code
commit
|
commitdiff
|
tree
2016-02-22
Mark
A
bra
h
a
m
Move init of speciali
z
ed dyn
a
mic
a
l
algorithms to d
o
_md
commit
|
commitdiff
|
tree
2016-02-21
Ma
r
k Abraham
Se
p
arate table
c
onstru
c
tion
commit
|
commitdiff
|
tree
2016-02-19
Mark A
b
raham
M
erge b
r
a
n
ch release-5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraha
m
Ma
k
e both ftp and http
l
in
k
s for source download
commit
|
commitdiff
|
tree
2016-02-18
Mark Abra
h
am
Updated refe
r
ence manual text about PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark
A
braham
Merge bra
n
c
h release-5-0 i
n
t
o releas
e
-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mark Abra
h
a
m
Re-generated eps for
f
igur
e
4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mar
k
A
b
rah
a
m
Re-remov
e
*_s
t
ochd_stat
e
function declarati
o
ns
commit
|
commitdiff
|
tree
2016-02-10
Mark Abr
a
ha
m
Improved update_coords ha
n
dling of x
p
rime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Fix issues to up
d
ate cp
p
check
supp
o
rt to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mark
A
braham
Merge bra
n
ch re
l
e
a
se-5-0 into release
-
5-1
commit
|
commitdiff
|
tree
2016-02-06
M
ark Abraham
Merge br
a
nch r
e
lease-
5
-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Ab
r
aham
Bump
e
d patch n
u
mber to prepare for futu
r
e 5
.
1
.
3 re
l
eas
e
commit
|
commitdiff
|
tree
2016-02-03
Ma
r
k
A
br
a
ham
Version 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
braham
Fix grompp not w
a
rning wh
e
n
.
md
p
values hav
e
wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraha
m
Merge r
e
l
ease-5-0 into rel
e
ase
-
5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraha
m
Fix
dEkin
/
dl
ha
n
d
ling with mul
t
iple
r
a
nks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Merge branch release
-
5-
1
commit
|
commitdiff
|
tree
2016-01-28
M
a
rk Abr
a
ham
Fix
use of __APPLE__ in O
p
enCL code
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Add Op
e
nCL source file types
t
o
c
opyright
checker
commit
|
commitdiff
|
tree
2016-01-28
M
a
rk Abraham
A
v
oid FP except
i
on
commit
|
commitdiff
|
tree
2016-01-27
M
a
rk Ab
r
a
ham
Me
r
g
e bran
c
h
releas
e
-5-1
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraha
m
Remove
bNotLastFr
a
me
commit
|
commitdiff
|
tree
2016-01-27
Mark A
b
raham
Add s
u
gg
e
stions for up
d
ating
b
inutils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abraham
Fi
x
defa
u
lt for GMX
_
USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
M
ark Abra
h
am
Merge
branch rel
e
a
s
e-5-1
commit
|
commitdiff
|
tree
2016-01-24
Mark Ab
r
a
h
a
m
Fix duplicate LaTeX eq
u
ation label
commit
|
commitdiff
|
tree
2016-01-24
Mark
A
br
a
ham
Update references to HTML and online do
c
ume
n
tation
commit
|
commitdiff
|
tree
2016-01-14
Mark Abraham
Per
m
it cu
s
t
omized
t
e
st
i
ng of grompp and md
r
un
commit
|
commitdiff
|
tree
2016-01-13
Ma
r
k Abraham
A
llowed
N
VM
L
s
u
pport to be toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
Merge
b
ranc
h
r
e
lea
s
e-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abrah
a
m
Improved u
p
date_c
o
ords
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Impro
v
e
tp
r
head
e
r version handling
commit
|
commitdiff
|
tree
2016-01-08
Mark Abr
a
ham
Merge
b
r
a
n
ch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abraham
Fix som
e
m
d
run header
d
ep
e
n
dencies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Avoid
m
or
e
C++ bindings
for MPI
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abr
a
ham
Do
c
ument how potential-switch works
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Stop
using UNDEFINED
a
s nam
e
of a symbo
l
commit
|
commitdiff
|
tree
next