Error while using flos for "flos_h2o_neb"
Hi
I have compiled siesta according below specification:
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Siesta Version : v4.1-b4
Architecture : x86_64_MPI_INTEL
Compiler version: ifort (IFORT) 15.0.0 20140723
Compiler flags : mpiifort -O2 -fPIC -xHost -ip -no-prec-div -fp-model source
PP flags : -DFC_HAVE_ABORT -DMPI -DSIESTA__MRRR -DSIESTA__FLOOK
Libraries : libfdict.a /opt/flook-
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It works fine for different tests and also for "lua_si111". However, I cannot run "flos_h2o_neb" example, I see this error:
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New grid distribution: 3
1 1: 72 1: 15 1: 16
2 1: 72 1: 15 17: 72
3 1: 72 16: 72 1: 16
4 1: 72 16: 72 17: 72
Setting up quadratic distribution...
ExtMesh (bp) on 0 = 124 x 65 x 71 = 572260
PhiOnMesh: Number of (b)points on node 0 = 17784
PhiOnMesh: nlist on node 0 = 59841
rdiag: Error in Cholesky factorisation
Stopping Program from Node: 0
rdiag: Error in Cholesky factorisation
Stopping Program from Node: 1
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