I understand the things in theory, but on practice I still can't get it working. Currently I have
memory total 4000 mb
It runs for few hours and than fails. The end of log is the following:
Memory Information
------------------
Available GA space size is 524244319 doubles
Available MA space size is 65513497 doubles
Length of a trial vector is 9864
Algorithm : Incore multiple tensor contraction
Estimated peak GA usage is 182779852 doubles
Estimated peak MA usage is 6600 doubles
3 smallest eigenvalue differences (eV)
No. Spin Occ Vir Irrep E(Vir) E(Occ) E(Diff)
1 1 72 73 a -0.071 -0.208 3.744
2 1 71 73 a -0.071 -0.239 4.578
3 1 70 73 a -0.071 -0.245 4.747
Entering Davidson iterations
Restricted singlet excited states
Iter NTrls NConv DeltaV DeltaE Time
---- ------ ------ --------- --------- ---------
0: error ival=-1
(rank:0 hostname:mesocomte68 pid:30430):ARMCI DASSERT fail. ../../ga-5-1/armci/src/devices/openib/openib.c:armci_server_rdma_strided_to_contig():3239 cond:(rc==0)
As far as I can see from Memory Information I have a lot of free memory, but it still fails. Could you please tell what's wrong? I wonder what is armci_server_rdma_strided_to_contig()...