Comments (2)
星先生
河村です。すみません、マニュアルに書き忘れてしまったのですがMacの標準のBLASにあるzdotcの挙動がおかしいため、Macで(mkl等の別のライブラリを使わずに)ビルドするときにはmake.sys
のFFLAGS
に-D NO_ZDOT
というオプションを付け加えなければなりません。
上記の通りマニュアルにもどこにも書いていない情報なのですが、make.sys
の"for mac"と書いてある行のコメントアウトを解除すると動くようになります。ご不便おかけします。
from komega.
おっしゃるようにしたら、うまくいきました。これにて解決とします。
make.sysの中身
F90=gfortran # gfortran
FFLAGS=-fopenmp -cpp -g -framework Accelerate -lblas -llapack -lm -D NO_ZDOT # for Mac
実行結果
$ ../../src/ShiftK.out namelist.def
Open input file namelist.def
Number of processes : 1
Number of threads : 4
########## Input FileName ##########
Hamiltonian file : zvo_Ham.dat
Excited state file : zvo_Excited.dat
########## Input Hamiltonian ##########
Dim. of Hamiltonian : 16 16
Num. of Non-Zero Components : 20
COCG mathod is used.
########## Input Parameter for CG Iteration ##########
Maximum number of loop : 100
Convergence Threshold : 9.9999999999999995E-007
########## Input Right Hand Side Vector ##########
Dim. of RHS vector : 16
########## Input Parameter for Spectrum ##########
Max. of Omega : ( 1.0000000000000000 , 1.0000000000000000E-002)
Min. of Omega : ( 0.0000000000000000 , 1.0000000000000000E-002)
Num. of Omega : 100
Calculation type : normal
########## CG Initialization ##########
BiCG Iteration
iter status1 status2 status3 Residual Proj. Res.
1 1 0 1 0.39527E+00 0.50000E+00
2 2 0 1 0.52678E+00 0.68340E-16
3 -3 0 1 0.17132E-13 0.16184E-15
Converged in iteration 3
########## Output Restart Parameter ##########
Num. of Iteration (Current Run) : 3
Current Omega_Seed : 0.00000E+00 0.10000E-01
########## Output Restart Vector ##########
Dim. of Residual vector : 16
Done
from komega.
Related Issues (5)
- sekireiでのmake.sys HOT 2
- 2.0.0のリリース HOT 3
- プレインストール版のテスト HOT 1
- COCG法のバグについて HOT 1
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from komega.