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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Dear All,<br>
I was recently trying to convert my seedname.chk to seedname.chk.fmt using utility tool: w90chk2chk.x. I was able to run tests provided without any errors. I also was able to produce seedname.chk.fmt for both test1 and test2.<br>
<br>
Now I am trying to do NiO benchmark (paramagnetic calculations) and do later on to use of this for DMFT calculations. When runnig w90chk2chk.x I got segmentation fault. I have added two lines to w90chk2chk.f90:
<br>
<br>
allocate(exclude_bands(num_exclude_bands),stat=ierr) ! ****KD*****<br>
if (ierr/=0) call io_error('Error allocating exclude_bands in param_read') !*****KD*****<br>
<br>
And it seems to work for my benchmark. In the attachment FILES I am sending you the main inptu/output files from the run with modified w90chk2chk.f90.<br>
<br>
Without modification I get the following error while runnig w90chk2chk.x:<br>
<br>
forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
Image PC Routine Line Source
<br>
w90chk2chk.x 00000000005C3FE1 Unknown Unknown Unknown<br>
w90chk2chk.x 00000000005C2737 Unknown Unknown Unknown<br>
w90chk2chk.x 000000000056FE64 Unknown Unknown Unknown<br>
w90chk2chk.x 000000000056FC76 Unknown Unknown Unknown<br>
w90chk2chk.x 000000000052892F Unknown Unknown Unknown<br>
w90chk2chk.x 000000000052C92D Unknown Unknown Unknown<br>
libpthread.so.0 00007FABA32A40A0 Unknown Unknown Unknown<br>
w90chk2chk.x 00000000005D2D26 Unknown Unknown Unknown<br>
w90chk2chk.x 0000000000548D2D Unknown Unknown Unknown<br>
w90chk2chk.x 0000000000546026 Unknown Unknown Unknown<br>
w90chk2chk.x 0000000000405A57 w90_conv_mp_conv_ 115 w90chk2chk.F90<br>
w90chk2chk.x 00000000004040B8 MAIN__ 593 w90chk2chk.F90<br>
w90chk2chk.x 0000000000403AFE Unknown Unknown Unknown<br>
libc.so.6 00007FABA2AA2EAD Unknown Unknown Unknown<br>
w90chk2chk.x 00000000004039E9 Unknown Unknown Unknown<br>
<br>
I have attached log file from w90chk2chk (w90chk2chk_vannila.logı<span id="spnAtmt" tabindex="-1" _attid="EAAv79sfQhxpRK1JcOQEwCyp" _level="2" _attname="w90chk2chk_vannila.log" _attsize="158" _fisitem="False" _protectable="0"><span class="delLnk"></span></span><span id="spnAtmt" tabindex="-1" _attid="EAAv79sfQhxpRK1JcOQEwCyp" _level="2" _attname="w90chk2chk_vannila.log" _attsize="158" _fisitem="False" _protectable="0"></span>)
from run without any modifications. It stops at work after reading bands.<br>
<br>
<br>
I have compiled wannier90 using the following settings:<br>
F90 = /opt/intel/bin/ifort<br>
#COMMS=<br>
MPIF90=/opt/intel/impi/5.0.3.048/bin64/mpif90<br>
FCOPTS=-O2 -heap-arrays -g -traceback <br>
LDOPTS=-O2 -g -traceback <br>
<br>
LIBDIR = /opt/intel/mkl/lib/intel64<br>
LIBS = -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread<br>
<br>
Is there a problem with my compilation or have I found a bug?<br>
<br>
Regards,<br>
Krzysztof Dymkowski<br>
<br>
<br>
<br>
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