Error cp_fm_cholesky in regtest

[ambrosek]

Dear Board,

I have managed to compile cp2k with g95 with the following arch file
for the sopt version on MacOS:

CPPFLAGS = -C -D__G95 -D__FFTW3 -traditional -D__LIBINT -
D__NO_STATM_ACCESS
FCFLAGS  = -cpp -O3  -ftrace=full -ffast-math -march=nocona -funroll-
loops -ftree-vectorize
FCFLAGS2 = -cpp -O0   -ffast-math
LDFLAGS  = $(FCFLAGS) -ftrace -L/usr/local/fftw3-g95 -L/usr/local/
libint/1.1.4-stable/lib
LIBS     = -lfftw3 -lm -lblas_g95 -llapack_g95 -lderiv -lint -lr12 -
lstdc++.6

But have encountered errors when the cholesky modules are called to
service.  Here is a typical output error for
--- CH-hfx-md.inp

but the same error occurs for
1.H-hfx-md-2.inp
2.H2O-trunc-auto-md.inp
3.CH3-trunc-auto-md.inp

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/Users/ambrosek/cp2k-rt//TEST-macos-g95-sopt-/QS/regtest-hfx/CH-hfx-
md.inp.out


 DISTRIBUTION OF THE OVERLAP MATRIX

  Number  of non-zero blocks:                                0
  Percentage non-zero blocks:                             0.00
  Average number of blocks per CPU:                          0
  Maximum number of blocks per CPU:                          0
  Average number of matrix elements per CPU:                 0
  Maximum number of matrix elements per CPU:                 0

 Spin 1

 Number of electrons:                               4
 Number of occupied orbitals:                       4
 Number of molecular orbitals:                      4

 Spin 2

 Number of electrons:                               3
 Number of occupied orbitals:                       3
 Number of molecular orbitals:                      3

 Number of orbital functions:                      16
 *
 *** 15:06:08 ERRORL2 in cp_fm_cholesky:cp_fm_cholesky_decompose
processor  ***
 ***      0  err=-300  condition FAILED at line
92                          ***
 *

 ===== Routine Calling Stack =====

            7 cp_fm_cholesky_decompose
            6 init_scf_run
            5 qs_energies_scf
            4 qs_forces
            3 velocity_verlet
            2 qs_mol_dyn_low
            1 CP2K
 CP2K| condition FAILED at line 92
 CP2K| Abnormal program termination, stopped by process number 0
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I would be deeply indebted to anyone who might be able to offer me a
solution to this problem.

David