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Preliminary clean up of NVML code
2016-09-12
Mark
A
b
raham
Preliminary
c
lean up of NVML
c
ode
commit
|
commitdiff
|
tree
2016-08-27
Mar
k
Abrah
a
m
St
o
p using
g
mx_fat
a
l in
grompp
commit
|
commitdiff
|
tree
2016-08-24
M
a
rk Abraham
Re
m
ove hacks for
o
utdated B
l
u
e
G
ene support
commit
|
commitdiff
|
tree
2016-08-15
M
ark Abraham
Merge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Ab
r
aham
Fixes for BG/Q platform files
an
d
install g
u
ide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump number to
prepare for first patch
r
elease
commit
|
commitdiff
|
tree
2016-08-04
M
a
r
k
Abraham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Improve hand
l
i
n
g of gmock and gcc
6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge
b
ranch rele
a
se-5-1 into release
-
2
0
16
commit
|
commitdiff
|
tree
2016-07-28
Mark A
b
raham
Add toolch
a
in
flags for
SSE2 co
m
pilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abrah
a
m
B
umped patch
n
u
m
b
er to prepar
e
for futur
e
5
.
1
.
4
r
e
l
e
a
se
commit
|
commitdiff
|
tree
2016-07-14
Mark
Ab
r
aham
Fix
issues with
using int for number of steps
commit
|
commitdiff
|
tree
2016-07-13
Mark
Abraham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
ark
Abraha
m
Merge branch
releas
e
-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Fix trr
magic numb
e
r reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
F
i
x gmx
m
d
run -m
e
mbed
-n
t
mpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mar
k
Abraham
Fix re
g
res
s
iontest d
o
wnlo
a
d md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
First 2016 release candidate
commit
|
commitdiff
|
tree
2016-07-08
M
a
r
k
Abraham
Merge bran
c
h
re
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
Ma
r
k Abraham
Simplify SIMD co
m
pi
l
e
r
f
lag
c
on
s
t
ruction
commit
|
commitdiff
|
tree
2016-07-07
Mark Abra
h
am
Move c
o
nsistency ch
e
ck for
n
umber of
t
hr
e
ads
commit
|
commitdiff
|
tree
2016-07-07
Mark
Abraham
Fix b
u
ild if l
i
bcuda
i
s found but nvcc i
s
not
commit
|
commitdiff
|
tree
2016-07-04
Mar
k
Abraham
Fixes for Power7 big-
e
ndian
commit
|
commitdiff
|
tree
2016-07-01
Mar
k
Abraham
F
ix use of _POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abraham
Merge b
r
a
n
ch release-5-1 i
n
to release-201
6
commit
|
commitdiff
|
tree
2016-06-29
Mark Ab
r
aham
Refactor sysconf checki
n
g
commit
|
commitdiff
|
tree
2016-06-29
Mark Abrah
a
m
Wor
k
around glibc 2
.
23
with CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Upda
t
e to includ
e
a
g
c
c
6
.
1
configuration
commit
|
commitdiff
|
tree
2016-06-28
Mark Ab
r
ah
a
m
Fix SIMD configuration mana
g
ement
commit
|
commitdiff
|
tree
2016-06-27
Mark
A
b
r
aham
R
emoved unne
c
essary
inte
r
-simulation s
i
gnalling
commit
|
commitdiff
|
tree
2016-06-27
Mark
A
b
raham
Merge branch relea
s
e
-5
-
1 into release-201
6
commit
|
commitdiff
|
tree
2016-06-23
Ma
r
k Abraham
M
e
rge branch release-2
0
16
commit
|
commitdiff
|
tree
2016-06-23
Mark Ab
r
ah
a
m
Allow us
e
o
f exte
r
nal
l
m
f
it
package
commit
|
commitdiff
|
tree
2016-06-23
Mar
k
A
braham
Prevent use
of mdrun -maxh
-mult
i
commit
|
commitdiff
|
tree
2016-06-22
M
a
r
k
Abra
h
a
m
Fix co
n
figuration-time
c
puinf
o
code
commit
|
commitdiff
|
tree
2016-06-22
Mark Abra
h
am
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-22
Mark Abr
a
ham
Adjust
an
d
doc
u
m
e
nt C++
1
1 compile
r
tes
t
s
commit
|
commitdiff
|
tree
2016-06-20
Mark Ab
r
a
h
a
m
U
p
date pre-submit m
a
trix contents
commit
|
commitdiff
|
tree
2016-06-19
Mar
k
A
b
rah
a
m
Improve docs for l
i
nki
n
g
std
l
ib
c
+
+
needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Mer
g
e
branch releas
e
-
5
-
1 int
o
rele
a
s
e
-
2016
commit
|
commitdiff
|
tree
2016-06-17
Mar
k
Abraham
Fix
m
ulti-s
i
m + DD + si
m
ple d
i
stanc
e
restraints
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
F
i
nd
p
ython f
o
r d
o
cs build quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
Merge
b
ranch release-
5
-
1 into release-2016
commit
|
commitdiff
|
tree
2016-06-07
Mar
k
Abra
h
am
Re-
a
dd support for linki
n
g aga
i
nst
e
xt
e
rna
l
T
i
nyX
M
L-2
commit
|
commitdiff
|
tree
2016-06-07
M
ar
k
Abraham
Updates to
d
ocumentati
o
n
commit
|
commitdiff
|
tree
2016-06-02
Mark Abrah
a
m
Fix compa
t
ibility wi
t
h
olde
r
CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Make
m
ore CMake variables
advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abr
a
h
a
m
Ig
n
ore stderr
w
he
n
de
t
ect
i
ng SIMD and build info
commit
|
commitdiff
|
tree
2016-05-31
Mar
k
Abraham
Fix
r
e
ferenc
e
to v
m
d
i
o
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Second 2016
beta release
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
S
i
mplified
and updated
OpenCL
c
o
m
pilation
commit
|
commitdiff
|
tree
2016-05-27
M
a
rk Abra
h
am
Fix r
e
ading of
bon
d
ed tabl
e
s
commit
|
commitdiff
|
tree
2016-05-26
M
a
rk Abraham
New quote
commit
|
commitdiff
|
tree
2016-05-26
Mark
Abraham
M
e
rge br
a
nch rele
a
s
e-
2
016
commit
|
commitdiff
|
tree
2016-05-12
Mar
k
Abraham
Merge
branch release-5-1 i
n
to release-2
0
16
commit
|
commitdiff
|
tree
2016-05-12
M
ark Abraham
GROMACS 2016 bet
a
1 r
e
lease
commit
|
commitdiff
|
tree
2016-05-10
Mar
k
Abraham
Bump clang static a
n
alyzer to
version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
M
ark Abraham
Minor
updat
e
to s
p
h
i
nx dep
e
ndency
commit
|
commitdiff
|
tree
2016-05-10
Ma
r
k Abr
a
ham
Fa
c
il
i
tate
linki
n
g
w
ith libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark A
b
raham
Fix
e
s for
clang 3
.
7 o
n
PowerPC
commit
|
commitdiff
|
tree
2016-05-08
Mar
k
Abraha
m
Fix
constan
t
s, units and
c
onv
e
rsion fact
o
rs
commit
|
commitdiff
|
tree
2016-04-27
Mark Abraha
m
Me
r
ge branch re
l
ease-5
-
1
commit
|
commitdiff
|
tree
2016-04-19
Mark Abr
a
ham
Replace libxml2 with ti
n
yxml2 fo
r
u
se
i
n te
s
t code
commit
|
commitdiff
|
tree
2016-04-19
Mark Abrah
a
m
Fix par
s
e_digits_
f
r
o
m_
s
tring
commit
|
commitdiff
|
tree
2016-04-19
M
a
rk
A
braham
Fix mdp la
b
el
g
eneration
commit
|
commitdiff
|
tree
2016-04-18
Ma
r
k
A
braham
Reduce compilation coupling
o
f SI
M
D
module
commit
|
commitdiff
|
tree
2016-04-14
Mark Abraham
Merge
branch re
l
ease-5-
1
commit
|
commitdiff
|
tree
2016-04-01
Mark A
b
raha
m
R
e
ve
r
t
to t
r
eating -1 as "
g
e
nerate a se
e
d" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mark
A
braham
Add
t
e
st
a
nd
i
mproved docs for cust
o
m
checkSequ
e
n
ce
commit
|
commitdiff
|
tree
2016-03-30
Mark Abraham
Clean up vsite code
commit
|
commitdiff
|
tree
2016-03-19
Mark
A
br
a
ham
Add m
o
re con
s
t correctn
e
s
s
commit
|
commitdiff
|
tree
2016-03-19
Ma
r
k Abraha
m
Fix warning from GCC 6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Improved some md
r
un in
t
egration te
s
t
s
commit
|
commitdiff
|
tree
2016-03-18
M
ark Abr
a
ham
Warn a
b
out OpenMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark Abr
a
ham
Fi
x
typ
o
in
F
ourie
r
dihedral
equatio
n
commit
|
commitdiff
|
tree
2016-03-15
Ma
r
k A
b
raha
m
Mer
g
e br
a
nch
relea
s
e-5-0 i
n
to rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-03-12
Mark Ab
r
aham
Update u
s
e of isnan in lin
e
aral
g
ebra
commit
|
commitdiff
|
tree
2016-03-12
Mark Abraham
F
i
nd
h
wloc
qu
i
e
t
l
y i
f
it's alr
e
ady bee
n
fo
u
nd
commit
|
commitdiff
|
tree
2016-03-11
Mark
A
braham
A
d
d
i
nf
r
astruc
t
ure fo
r
tests to comp
a
r
e md
r
u
n
s
commit
|
commitdiff
|
tree
2016-03-11
Ma
r
k
A
b
raham
Mer
g
e
b
ran
c
h release-5-0 into release-
5
-1
commit
|
commitdiff
|
tree
2016-03-10
Mar
k
Abra
h
am
Requ
i
re 2015
v
ersio
n
for MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mark A
b
raham
Add SETTLE unit tests
commit
|
commitdiff
|
tree
2016-02-26
M
a
rk Abraham
Separated test o
f
CDATA e
n
d ta
g
handling fro
m
ot
h
ers
commit
|
commitdiff
|
tree
2016-02-23
Ma
r
k Ab
r
aham
R
e
place cppcheck suppr
e
ssion in
c
h
eckpoin
t
code
commit
|
commitdiff
|
tree
2016-02-22
Mark Abraham
M
ove init of special
i
zed
dynamical
alg
o
rithms to do
_
md
commit
|
commitdiff
|
tree
2016-02-21
Mark Abr
a
ham
Separate tab
l
e constructi
o
n
commit
|
commitdiff
|
tree
2016-02-19
Mar
k
A
b
r
aham
Merge branc
h
release-5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark A
b
ra
h
am
Make both ftp and
h
ttp li
n
ks f
o
r
s
ource download
commit
|
commitdiff
|
tree
2016-02-18
Mark Abrah
a
m
U
p
dated reference manual text a
b
out PME tun
i
ng
commit
|
commitdiff
|
tree
2016-02-16
Mark Abra
h
a
m
Me
r
ge branch release-5-0 into rele
a
se-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mar
k
Abraham
Re-generate
d
e
p
s for fig
u
re 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
M
ark Abraham
Re-rem
o
ve *_stochd_stat
e
function
d
ecl
a
rations
commit
|
commitdiff
|
tree
2016-02-10
Mark
Abraham
Impro
v
e
d
upd
a
t
e
_
c
oord
s
h
a
ndl
i
ng of xprime
commit
|
commitdiff
|
tree
2016-02-10
Ma
r
k
Ab
r
a
h
a
m
Fix issues to u
p
date cppc
h
ec
k
supp
o
rt to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mark Abraha
m
Merge branch r
e
lease-5-0 into
release-5
-
1
commit
|
commitdiff
|
tree
2016-02-06
M
ark Abraham
Merge
b
r
anch rele
a
s
e
-5-1
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk Abraham
B
u
m
p
ed patch number t
o
prepare
f
or future 5
.
1
.
3 re
l
ea
s
e
commit
|
commitdiff
|
tree
2016-02-03
Mark
Abr
a
ham
V
ers
i
on 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark A
b
rah
a
m
Fix gr
o
m
p
p not
war
n
ing when
.
m
d
p values h
a
ve
w
rong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk
Abraham
Merge release-5
-
0 into re
l
ease-5-1
commit
|
commitdiff
|
tree
next