I work on HPC environment and the officially installed siesta gives me the
following sementation fault error:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
I
mage PC Routine Line Source
libc.so.6 0000154EC6E3E730 Unknown Unknown Unknown
libmkl_avx512.so. 0000154D5A9B7A51 mkl_blas_avx512_x Unknown Unknown
libmkl_intel_ilp6 0000154ED14B52FB DDOT Unknown Unknown
libsiesta.so 0000154ED681C04B Unknown Unknown Unknown
libsiesta.so 0000154ED68191E6 neighbour_mp_mran Unknown Unknown
libsiesta.so 0000154ED681894F neighbour_mp_mnei Unknown Unknown
libsiesta.so 0000154ED6903061 shaper_ Unknown Unknown
libsiesta.so 0000154ED6963620 Unknown Unknown Unknown
libsiesta.so 0000154ED6961DCD m_struct_init_mp_ Unknown Unknown
libsiesta.so 0000154ED691E027 m_siesta_init_mp_ Unknown Unknown
siesta 0000000000412D51 MAIN__ Unknown Unknown
siesta 0000000000412D1D Unknown Unknown Unknown
libc.so.6 0000154EC6E295D0 Unknown Unknown Unknown
libc.so.6 0000154EC6E29680 __libc_start_main Unknown Unknown
siesta 0000000000412C35 Unknown Unknown Unknown
I increased the memory but that did not work. What is a possible solution?
On a different front,
I installed a binary version of siesta. And I get the following error message:
Lmod is automatically replacing "intel/24.0" with "gcc/13.2.0".
Lmod is automatically replacing "impi/21.11" with "mvapich/3.0".
Warning: Permanently added 'c455-082' (ED25519) to the list of known hosts.
At line 179 of file
/home/conda/feedstock_root/build_artifacts/siesta_1739782591042/work/Src/siesta_init.F
(unit = 1, file = '0_NORMAL_EXIT')
Fortran runtime error: File cannot be deleted
This error message repeats itself and never stops. although the output file
claims the job is completed.
What is the solution to
this?
Your help is greatly appreciated!
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
