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Sbalzarini Lab
Software
Parallel Computing
OpenFPM
openfpm_pdata
Commits
3c475c51
Commit
3c475c51
authored
5 years ago
by
Pietro Incardona
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Fixing CYGWIN installation
parent
34449ccd
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example/README(YES, YOU MUST READ IT)
+1
-1
1 addition, 1 deletion
example/README(YES, YOU MUST READ IT)
example/Vector/3_molecular_dynamic/main.cpp
+27
-28
27 additions, 28 deletions
example/Vector/3_molecular_dynamic/main.cpp
install
+3
-0
3 additions, 0 deletions
install
upgrade
+1
-1
1 addition, 1 deletion
upgrade
with
32 additions
and
30 deletions
example/README(YES, YOU MUST READ IT)
+
1
−
1
View file @
3c475c51
This Package contain the examples. In order to compile the examples go in the root folder where you installed
OpenFPM (example /usr/local/
O
pen
FPM_install
) and copy from there the file example.mk
OpenFPM (example
the defaukt would be
/usr/local/
o
pen
fpm_pdata/include
) and copy from there the file example.mk
compile the examples with
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example/Vector/3_molecular_dynamic/main.cpp
+
27
−
28
View file @
3c475c51
...
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@@ -478,7 +478,6 @@ int main(int argc, char* argv[])
// calculate forces or a(tn + 1) Step 2
calc_forces
(
vd
,
NN
,
sigma12
,
sigma6
,
r_cut
*
r_cut
);
// Integrate the velocity Step 3
auto
it4
=
vd
.
getDomainIterator
();
...
...
@@ -494,33 +493,33 @@ int main(int argc, char* argv[])
++
it4
;
}
// After every iteration collect some statistic about the configuration
if
(
i
%
100
==
0
)
{
// We write the particle position for visualization (Without ghost)
vd
.
deleteGhost
();
vd
.
write
(
"particles_"
,
f
);
// we resync the ghost
vd
.
ghost_get
<>
();
// We calculate the energy
double
energy
=
calc_energy
(
vd
,
NN
,
sigma12
,
sigma6
,
r_cut
*
r_cut
);
auto
&
vcl
=
create_vcluster
();
vcl
.
sum
(
energy
);
vcl
.
execute
();
// we save the energy calculated at time step i c contain the time-step y contain the energy
x
.
add
(
i
);
y
.
add
({
energy
});
// We also print on terminal the value of the energy
// only one processor (master) write on terminal
if
(
vcl
.
getProcessUnitID
()
==
0
)
std
::
cout
<<
"Energy: "
<<
energy
<<
std
::
endl
;
f
++
;
}
// After every iteration collect some statistic about the configuration
if
(
i
%
100
==
0
)
{
// We write the particle position for visualization (Without ghost)
vd
.
deleteGhost
();
vd
.
write
(
"particles_"
,
f
);
// we resync the ghost
vd
.
ghost_get
<>
();
// We calculate the energy
double
energy
=
calc_energy
(
vd
,
NN
,
sigma12
,
sigma6
,
r_cut
*
r_cut
);
auto
&
vcl
=
create_vcluster
();
vcl
.
sum
(
energy
);
vcl
.
execute
();
// we save the energy calculated at time step i c contain the time-step y contain the energy
x
.
add
(
i
);
y
.
add
({
energy
});
// We also print on terminal the value of the energy
// only one processor (master) write on terminal
if
(
vcl
.
getProcessUnitID
()
==
0
)
std
::
cout
<<
"Energy: "
<<
energy
<<
std
::
endl
;
f
++
;
}
}
//! \cond [md steps] \endcond
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install
+
3
−
0
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3c475c51
...
...
@@ -541,6 +541,9 @@ bash_library="$bash_library\""
##### Writing openfpm_vars file
# in cygwin we have to add to PATH additional directories
bash_path
=
"
$i_dir
/BOOST/bin:
$i_dir
/HDF5/bin:
$bash_path
"
echo
"
$bash_path
"
>
$HOME
/openfpm_vars
echo
"
$bash_library
"
>>
$HOME
/openfpm_vars
...
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upgrade
+
1
−
1
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3c475c51
openfpm.mpi-cbg.de/upload/upgrade_2
1
0
openfpm.mpi-cbg.de/upload/upgrade_2
0
0
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