Hi All, I've tried to build trunk versions of SIESTA, trunk-454 and trunk-458 . I have used the same arch.make that was used to build version 3.2-patch4. While the 3.2-patch4 passed the ch4 and h_chain tests, both trunk versions fail for them.
ch4 has the following problems: cgvc_zmatrix: Target stress (kBar) cgvc_zmatrix: 0.000 0.000 0.000 cgvc_zmatrix: 0.000 0.000 0.000 cgvc_zmatrix: 0.000 0.000 0.000 alloc_err: allocate status error 173 alloc_err: array ftoln requested by zm_broyden_optimizer alloc_err: dim, lbound, ubound: 1 1 0 alloc_err: allocate error Stopping Program from Node: 0 h_chain segfaults right after reading data: last in the output redata: Initial Temperature of MD run = 0.0000 K redata: Perform a MD quench = F I am using Intel Compilers ver 12.1 and OpenMPI 1.6.1 . The following flags in my arc.make: FFLAGS=-g -O2 –mp1 –xSSE4.2 –msse4.2 FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DGRID_DP -DPHI_GRID_SP -DCDF BLAS_LIBS=-mkl=sequential LAPACK_LIBS=-mkl=sequential BLACS_LIBS=-L$(MKLROOT)/lib/intel64 -lmkl_blacs_openmpi_lp64 SCALAPACK_LIBS=-L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 SO, my question is, is it normal for these tests to fail because it is a trunk version? Or even the trunk version can pass all the tests under Tests? -- Grigory Shamov HPC Analyst, Tech. Site Lead, Westgrid/Compute Canada E2-588 EITC Building, University of Manitoba (204) 474-9625
