Regarding running the cp2k input file

[Dilip H N]

Hello,
I downloaded the example H2O-32.inp file as an example file to run the cp2k
in the cluster.
So when i gave the command as:
cp2k.sopt -i H2O-32.inp
I got the following errors...

DBCSR| Multiplication driver
 BLAS
 DBCSR| Multrec recursion limit
  512
 DBCSR| Multiplication stack size
 1000
 DBCSR| Maximum elements for images
UNLIMITED
 DBCSR| Multiplicative factor virtual images
   1
 DBCSR| Multiplication size stacks
   3
.
.
.
*******************************************************************************
 *   ___
   *
 *  /   \
    *
 * [ABORT]   The specified OLD file <data/GTH_BASIS_SETS> cannot be opened.
It *
 *  \___/                  does not exist. Data directory path:
    *
 *    |                  /apps/scratch/compile/cp2k/cp2k-5.1/data
    *
 *  O/|
    *
 * /| |
    *
 * / \
 common/cp_files.F:399 *
 *******************************************************************************


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

            3 read_qs_kind
            2 create_qs_kind_set
            1 CP2K

Program received signal SIGABRT: Process abort signal.

Backtrace for this error:
#0  0x7FCE43DCC467
#1  0x7FCE43DCCAAE
#2  0x7FCE432D366F
#3  0x7FCE432D35F7
#4  0x7FCE432D4CE7
#5  0x2876268 in __message_passing_MOD_mp_abort
#6  0x28D4817 in __base_hooks_MOD_cp_abort
#7  0x28D49C3 in __base_hooks_MOD_cp(bool)
#8  0x276DEDA in __cp_files_MOD_open_file
#9  0x23E4242 in __cp_parser_types_MOD_parser_create
#10  0x2347974 in __basis_set_types_MOD_read_gto_basis_set1
#11  0xBDE29E in __qs_kind_types_MOD_create_qs_kind_set
#12  0x17AFA3D in __qs_subsys_methods_MOD_qs_subsys_create
#13  0xFBCCA9 in __qs_environment_MOD_qs_init
#14  0xB4C341 in __f77_interface_MOD_create_force_env
#15  0x6558F5 in __cp2k_runs_MOD_cp2k_run at cp2k_runs.F90:?
#16  0x65996F in __cp2k_runs_MOD_run_input
#17  0x643948 in MAIN__ at cp2k.F90:?
Aborted (core dumped)

Why is this error coming... it states that "The specified OLD file
<data/GTH_BASIS_SETS..." so is this H2O-32.inp an old version file..??

I am using cp2k version 5.1. so is this issue making any issues..??

I have attached the H2O-32.inp file...











-- 
With Best Regards,

DILIP.H.N
Ph.D. Student



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