Unable to run qe-5.1.0_elph/elph_fc.x #379
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WeiChiehSu
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Dear Developer,
Recently, I followed the tutorial "Calculation of the electron-phonon interaction and superconducting properties with the SSCHA" and use elph_fc.x to write electron-phonon coupling constant. But the calculation results showed this error :
forrtl: severe (43): file name specification error, unit 3, file "Unknown"
Image PC Routine Line Source
elph_fc.x 0000000000516BC8 Unknown Unknown Unknown
elph_fc.x 0000000000532502 Unknown Unknown Unknown
elph_fc.x 0000000000427587 elph_fc_IP_read_e 1220 elph_fc.f90
elph_fc.x 000000000040E56B MAIN__ 580 elph_fc.f90
elph_fc.x 0000000000406AE2 Unknown Unknown Unknown
libc-2.17.so 00002ABFBB879555 __libc_start_main Unknown Unknown
elph_fc.x 00000000004069E9 Unknown Unknown Unknown
This is my input :
cat > elph_fc.in << EOF
&input
asr = 'crystal',
amass(1) = 106.42
amass(2) = 1.00794
flfrc = 'sscha_T0.0.fc',
fildyn = 'harmonic_dyn'
nbroad = 1
minbroad = 10
/
0.004
3
0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1
0.500000000000000E+00 -0.500000000000000E+00 0.500000000000000E+00 4
0.000000000000000E+00 -0.100000000000000E+01 0.000000000000000E+00 3
EOF
run="mpiexec elph_fc.x < elph_fc.in > elph_fc.out"
I try to add some code at elph_fc.f90 : line 58:
fileelph=TRIM(fildyn)//TRIM(int_to_char(n))//'.elph.d.mat.'//TRIM(int_to_char(n))
write(,) 'Trying to open file:', fileelph
write(,) 'fileelph = "', fileelph, '"'
write(,) 'Length of fileelph = ', len_trim(fileelph)
The result is like :
Trying to open file:
harmonic_dyn3.elph.d.mat.3
fileelph = "
harmonic_dyn3.elph.d.mat.3
Length of fileelph = 26
The length of fileelph and file name is correct. I don't know what happen in my qe-5.1.0_elph/elph_fc.x.
(I Install qe-5.1.0_elph by Intel oneAPI 2022.1.1.119 and ./configure
F90=ifort
F77=ifort
MPIF90=mpiifort
CC=icc
BLAS_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
SCALAPACK_LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
FFT_LIBS="-lmkl_intel_lp64 -lmkl_sequential -lmkl_core")
Hope to get your reply, thank you for your help!
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