EPW Forum

Posted: **Tue Jun 16, 2026 1:33 pm**

Dear all,

I encountered a malloc() error: corrupted top size during a lindabs calculation.

epw1 calculcation (wannier interpolation) was completed successfully, but the epw2 step would abruptly terminate with the following error during the start of the calculation.

Kindly help me to resolve this error. I have also attached my inputs.:

epw2.out:

Code: Select all

     Program EPW v.6.0 starts on 16Jun2026 at 16:14: 5

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on   100 processors

     MPI processes distributed on    10 nodes
     K-points division:     npool     =     100
     378299 MiB available memory on the printing compute node when the environment starts

     Waiting for input...
     Reading input from standard input

SLUMR Error file std.err:

Code: Select all

malloc(): corrupted top size
srun: error: nid00579: task 0: Aborted (core dumped)
srun: Terminating StepId=12572101.0
slurmstepd: error: *** STEP 12572101.0 ON nid00579 CANCELLED AT 2026-06-16T16:14:06 ***
forrtl: error (78): process killed (SIGTERM)
Image              PC                Routine            Line        Source
libc.so.6          000014FE51C4A900  Unknown               Unknown  Unknown
libmpi_intel.so.1  000014FE53825A8E  Unknown               Unknown  Unknown
libmpi_intel.so.1  000014FE538C66E2  Unknown               Unknown  Unknown
libmpi_intel.so.1  000014FE5204E2CE  PMPI_Barrier          Unknown  Unknown
libmpifort_intel.  000014FE5462E0BB  pmpi_barrier          Unknown  Unknown
epw.x              000000000147DFF1  Unknown               Unknown  Unknown
epw.x              0000000001458E18  Unknown               Unknown  Unknown
epw.x              0000000000493AB7  Unknown               Unknown  Unknown
epw.x              000000000041926B  Unknown               Unknown  Unknown
epw.x              000000000041898D  Unknown               Unknown  Unknown
libc.so.6          000014FE51C33E6C  Unknown               Unknown  Unknown
libc.so.6          000014FE51C33F35  __libc_start_main     Unknown  Unknown
epw.x              0000000000418891  Unknown               Unknown  Unknown

Attaching my inputs:

1. epw1.in

Code: Select all

--------
&inputepw

! General Flags 

  prefix      = 's1'
  outdir      = './'
  dvscf_dir   = './save/'

! Core EPW Control Flags 
  
  elph        = .true. 
  epwwrite    = .true.
  epwread     = .false.
  epbwrite    = .true.
  epbread     = .false.
  etf_mem     = 0
  epw_memdist = .true.

! Wannierization Flags

  wannierize   = .true.
  eig_read     = .true.

  nbndsub      = 28 
  num_iter     = 500
  iprint       = 2

  proj(1)      = 'A: l=2' (intentionally written as A and B)
  proj(2)      = 'B: l=1'
  
  dis_win_max  = 6
  dis_froz_max = 1.13225
  dis_froz_min = -0.8677
  dis_win_min  = -8

  wdata(1)     = 'bands_plot = .true.'
  wdata(2)     = 'bands_plot_format = gnuplot xmgrace'
  wdata(3)     = 'guiding_centres = .true.'
  wdata(4)     = 'dis_num_iter      = 5000'
  wdata(5)     = 'use_ws_distance = T'
  wdata(6)     = 'write_xyz = false'
  wdata(7)     = 'bands_num_points = 200'
  wdata(8)     = 'begin kpoint_path'
  wdata(9)     = 'G  0.0000     0.0000     0.0000   X  0.5000     0.0000     0.0000'
  wdata(10)    = 'X  0.5000     0.0000     0.0000   A  0.5000     0.5000     0.0000'
  wdata(11)    = 'A  0.5000     0.5000     0.0000   Y  0.0000     0.5000     0.0000'
  wdata(12)    = 'end kpoint_path'
  

! Brillouin Zone (BZ) Grid Flags (Coarse Grids)
  
  nk1  = 6
  nk2  = 8
  nk3  = 1 
  nq1  = 6
  nq2  = 8
  nq3  = 1
  
  asr_typ     = 'crystal'
  use_ws      = .true.  
  lifc        = .false.

! Plotting Band Strucuture and Phonons

  band_plot   = .true.
  filkf       = './path.kpt'
  filqf       = './path.kpt'

/

epw2.in

Code: Select all

---------
&inputepw

! General Flags 

  prefix       = 's1'
  outdir       = './'
  dvscf_dir    = './save/'

! Core EPW Control Flags  

  elph         = .true.
  epbwrite     = .false.
  epbread      = .false.
  epwwrite     = .false.
  epwread      = .true.

! Wannier Basis Flags  

  wannierize   = .false.
  nbndsub      = 28
  use_ws       = .true.
  asr_typ      = 'crystal'
  eig_read     = .true.

! Optical Absorption Flags and Energy Parameters

  lindabs      = .true.
  omegamin     = 0.05
  omegamax     = 5.00
  omegastep    = 0.01
  fsthick      = 6.0 ! eV
  temps        = 0 100 300 ! K
  degaussw     = 0.05 ! eV
  efermi_read  = .true.
  fermi_energy = -0.717410
  
  elecselfen   = .false.
  phonselfen   = .false.
  a2f          = .false.

! Brillouin Zone (BZ) Grid Flags (Fine Grids)

  nkf1    = 12 
  nkf2    = 16 
  nkf3    = 1
  nqf1    = 12
  nqf2    = 16
  nqf3    = 1 

	
  nk1     = 6 
  nk2     = 8 
  nk3     = 1 
  nq1     = 6 
  nq2     = 8 
  nq3     = 1 

  mp_mesh_k = .true.

EPW Forum

Error: malloc(): corrupted top size

Error: malloc(): corrupted top size