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bug remove for GPU run after CPU MPI parallelization

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- specialization of VectorSingle for word
- dummyFile creation to solve write to file in MPI mode
This commit is contained in:
Hamidreza Norouzi
2024-05-18 18:40:25 +03:30
parent 614b2f732e
commit 4e8b921514
69 changed files with 1124 additions and 490 deletions
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4
src/Interaction/contactLists/sortedContactList.hpp
View File

@ -138,7 +138,7 @@ public:
start,
end,
newPair);
idx0!=-1)
idx0!=static_cast<uint32>(-1))
{
values_[idx] = values0_[idx0];
}
@ -147,7 +147,7 @@ public:
start,
end,
newPair);
idx0!=-1)
idx0!= static_cast<uint32>(-1) )
{
values_[idx] = values0_[idx0];

6
src/Interaction/contactLists/unsortedContactList.hpp
View File

@ -124,7 +124,7 @@ public:
INLINE_FUNCTION_HD
bool getValue(const PairType& p, ValueType& val)const
{
if(auto idx = this->find(p); idx!=-1)
if(auto idx = this->find(p); idx!=static_cast<uint32>(-1))
{
val = getValue(idx);
return true;
@ -141,7 +141,7 @@ public:
INLINE_FUNCTION_HD
bool setValue(const PairType& p, const ValueType& val)const
{
if(uint32 idx = this->find(p); idx!=-1)
if(uint32 idx = this->find(p); idx!=static_cast<uint32>(-1))
{
setValue(idx, val);
return true;;
@ -156,7 +156,7 @@ public:
{
if( uint32 idx0 =
container0_.find(this->getPair(idx));
idx0!=-1 )
idx0!= static_cast<uint32>(-1) )
{
values_[idx] = values0_[idx0];
}

6
src/Interaction/contactLists/unsortedPairs.hpp
View File

@ -105,7 +105,7 @@ public:
uint32 insert(idType i, idType j)const
{
if(auto insertResult = container_.insert(PairType(i,j)); insertResult.failed())
return -1;
return static_cast<uint32>(-1);
else
return insertResult.index();
@ -115,7 +115,7 @@ public:
uint32 insert(const PairType& p)const
{
if(auto insertResult = container_.insert(p); insertResult.failed())
return -1;
return static_cast<uint32>(-1);
else
return insertResult.index();
@ -154,7 +154,7 @@ public:
idx != Kokkos::UnorderedMapInvalidIndex )
return idx;
else
return -1;
return static_cast<uint32>(-1);
}
INLINE_FUNCTION_HD