GitLab

Turned off lapack routines when not building with -DTUNE

Setup configure file to make the config.mk file better documented and more easily modifiable to enable GPU support

got rid of printfs and gave up on trying to find actual memory used, instead just keeping track of tensor data stored and setting memcap to half the memory

Implemented available memory check via malloc_info instead of mallinfo, which is not able to handle 64-bit

Also replaced two unrelated stack with heap allocs.

Combined the old and new contraction mapping mechanisms and select mapping with lowest time among the two sets.

made other corrections to get new mapping scheme working properly

Finished a seemingly working implementation of a more exhaustive mapping scheme, but performance seems like there are still some issues.

Added model output/input functionality and setup initial models based on running CCSD on a 12-core linux machine

Could use a bit more correctness verification.

Fixed correctness bug involving different processors folding differently due to differing performance models.

Fix is temporary, simply broadcasts processor 0s solution. Planned solution is to do flat-tree TSQR.

Still seeing a bug for sparse_mp3 on 24 processes.

Made all bcast and allreduce calls of nontrivial size use the wrapped MPI routine through CommData, where times get measured and contribute to time estimation.