?mma_allo_?D: error: out-of-memory when Gronor interfaced with OpenMolcas
I try to use Gronor interfaced with OpenMolcas. https://gitlab.com/gronor/gronor. When running a Gronor test case, a program of Gronor named gcommon throw an error as follow:
export MOLCAS_NPROCS=1
export MOLCAS_MEM=20480
/home/shuo/bin/OpenMolcas/pymolcas -clean benzeneA.input > benzeneA.output
/home/shuo/bin/OpenMolcas/pymolcas -clean benzeneD.input > benzeneD.output
gcommon < benzeneCB.input
touch TRAINT
/home/shuo/bin/OpenMolcas/pymolcas -clean benzeneM.input > benzeneM.output
rdcho 8
rdtraint < benzeneCB.input
gronor benzene_test
#LOCAL:[Benzene_dimer]>gcommon < benzeneCB.input
common MO basis with threshold: 0.10E-04
R. K. Kathir, C. de Graaf, R. Broer, R. W. A. Havenith
J. Chem. Theory Comput. 16, 2941-2951 (2020)
program written by Coen de Graaf, URV (2019)
frozen orbitals by Aitor Sanchez-Mansilla, URV (2020)
?mma_allo_?D: error: out-of-memory
label: TocOne
available (kB): 0
required (kB): 1417
[ process 0]: xquit (rc = 139): _UKNOWN_ERROR_CODE_
abort:
Gronor called openmolcas function OpnOne -> mma_allocate. I can't find the source code of mma_allocate, and don't know what's going on.