[Pw_forum] phonon error using mpi(linux , ifc ,mpich )
Hongjun Xiang
xhongjun at mail.ustc.edu.cn
Wed Apr 2 15:19:43 CEST 2003
Dear PWscf users,
I have compiled a mpi version for pwscf 1.2.0.
pw.x runs well,but ph.x encounters error when I perform
a test on example6,some errors occur:
The gaas.phG.out file reads:
Program PHONON 1.2.0 starts ...
Today is 2Apr2003 at 20:47:16
Parallel version (MPI)
Number of processors in use: 4
R & G space division: nprocp = 4
...
Computing electric fields
iter # 1 av.it.: 7.5
thresh= 0.100E-01 alpha_mix = 0.700 |ddv_scf|^2 = 0.942E-06
iter # 2 av.it.: 10.0
thresh= 0.971E-04 alpha_mix = 0.700 |ddv_scf|^2 = 0.348E-07
iter # 3 av.it.: 11.0
thresh= 0.187E-04 alpha_mix = 0.700 |ddv_scf|^2 = 0.121E-07
iter # 4 av.it.: 11.7
thresh= 0.110E-04 alpha_mix = 0.700 |ddv_scf|^2 = 0.139E-06
iter # 5 av.it.: 11.5
thresh= 0.373E-04 alpha_mix = 0.700 |ddv_scf|^2 = 0.606E-06
iter # 6 av.it.: 11.3
thresh= 0.778E-04 alpha_mix = 0.700 |ddv_scf|^2 = 0.406E-06
...
iter # 95 av.it.: 10.5
thresh= 0.694E-03 alpha_mix = 0.700 |ddv_scf|^2 = 0.757E-05
iter # 96 av.it.: 11.3
thresh= 0.275E-03 alpha_mix = 0.700 |ddv_scf|^2 = 0.275E-04
iter # 97 av.it.: 10.8
thresh= 0.525E-03 alpha_mix = 0.700 |ddv_scf|^2 = 0.959E-05
iter # 98 av.it.: 9.5
thresh= 0.310E-03 alpha_mix = 0.700 |ddv_scf|^2 = 0.833E-05
iter # 99 av.it.: 10.5
thresh= 0.289E-03 alpha_mix = 0.700 |ddv_scf|^2 = 0.106E-04
iter # 100 av.it.: 11.2
thresh= 0.325E-03 alpha_mix = 0.700 |ddv_scf|^2 = 0.204E-05
PHONON : 4m 9.01s CPU time
phq_setup : 0.09s CPU
phq_init : 0.35s CPU
phq_init : 0.35s CPU
init_vloc : 0.02s CPU ( 2 calls, 0.009 s avg)
init_us_1 : 0.20s CPU
init_us_2 : 0.04s CPU ( 202 calls, 0.000 s avg)
cgsolve : 148.11s CPU ( 606 calls, 0.244 s avg)
incdrhoscf : 8.23s CPU ( 600 calls, 0.014 s avg)
dv_of_drho : 1.94s CPU ( 300 calls, 0.006 s avg)
mix_pot : 53.44s CPU ( 100 calls, 0.534 s avg)
cgsolve : 148.11s CPU ( 606 calls, 0.244 s avg)
ch_psi : 94.18s CPU ( 7265 calls, 0.013 s avg)
ch_psi : 94.18s CPU ( 7265 calls, 0.013 s avg)
h_psiq : 80.44s CPU ( 7265 calls, 0.011 s avg)
last : 14.73s CPU ( 7265 calls, 0.002 s avg)
h_psiq : 80.44s CPU ( 7265 calls, 0.011 s avg)
firstfft : 38.13s CPU ( 26963 calls, 0.001 s avg)
secondfft : 37.94s CPU ( 26963 calls, 0.001 s avg)
add_vuspsi : 0.75s CPU ( 7265 calls, 0.000 s avg)
incdrhoscf : 8.23s CPU ( 600 calls, 0.014 s avg)
General routines
ccalbec : 13.85s CPU ( 16968 calls, 0.001 s avg)
cft3 : 2.09s CPU ( 901 calls, 0.002 s avg)
cft3s : 86.10s CPU ( 63478 calls, 0.001 s avg)
davcio : 43.23s CPU ( 3174 calls, 0.014 s avg)
Parallel routines
reduce : 94.15s CPU ( 104284 calls, 0.001 s avg)
Dynamical memory: 1.83Mb current, 2.83Mb maximum
Is there some bug in solve_e.f90?
If it is my error in compiling ph.x,please give me some hints on how to
compile a mpi version for pwscf .
sincerely yours.
xianghjun
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