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chime's Issues

NLO charge radius file ordering bug

When generating charge radius files, the order defaults to:
lo, n2lo, n3lo, n4lo, nlo

This means that the only way to get the nlo file is to set the target as nlo explicitly; then you get a file for lo, n2lo, n3lo, n4lo, nlo, and an nlo_cumulative file which actually is the sum of all of them (so its really a 'n4lo_cumulative' file). Note also the n2lo and n4lo files have all 0 elements (n2lo because it has no contribution, n4lo since it isn't done yet for 2b).

Note that this means the cumulative files for >= n2lo miss the nlo correction (finite radius).

charge radius at LO gives incorrect deuteron result

ChiME's LO elements seem to scale with Nmax, which my best guess is from a norm problem. For example, if I divide ChiME's LO r^2 deuteron channel elements by 4 and subtract ones giving the 'correct' deuteron r^2, I get

image

Note that the first ME is basically right, but not the others (which makes me think the RME treatment is fine, since the j-hat factors would be a constant scaling factor on all elements otherwise).

Regarding the factor 4, at LO the r operator in relative coordinates is taken to be the distance between nucleons, so half of this is the actual nuclear radius. We should make sure the r operator is consistent everywhere.

Phase error

It appears a phase error has been introduced in 2641065.

relativecm-gen input relcm.in:

1 0 1 1
4 15.0
1.0
mm nlo 2
LENPICchi2bM11C_Nmax04_hw15.0_relcm.dat

Before:

# RELATIVE-CM LSJT
#   version
#   J0 g0 T0_min T0_max symmetry_phase_mode  [P0=(-)^g0]
#   Nmax
#   T0   Nr' lr' Nc' lc' L' S' J' T' g'   Nr lr Nc lc L S J T g   JT-RME
 1
 1 0 1 1 0
 4
   1      1   1   1   1   0   0   0   0   0        1   1   1   1   0   1   1   1   0      -1.98073763e-01
   1      1   1   1   1   0   0   0   0   0        1   1   3   1   0   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        3   1   1   1   0   1   1   1   0      -4.16307108e-02
   1      1   1   3   1   0   0   0   0   0        1   1   1   1   0   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   3   1   0   1   1   1   0      -1.98073763e-01
   1      1   1   3   1   0   0   0   0   0        3   1   1   1   0   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   1   1   0   1   1   1   0      -4.16307108e-02
   1      3   1   1   1   0   0   0   0   0        1   1   3   1   0   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        3   1   1   1   0   1   1   1   0      -1.14243860e-01
   1      1   1   1   1   0   0   0   0   0        2   2   2   2   1   0   1   1   0      -0.00000000e+00  <<<
   1      1   1   3   1   0   0   0   0   0        2   2   2   2   1   0   1   1   0      -8.73909393e-02  <<<
   1      3   1   1   1   0   0   0   0   0        2   2   2   2   1   0   1   1   0      -0.00000000e+00  <<<
   1      1   1   1   1   0   0   0   0   0        1   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        1   1   3   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        3   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   3   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        3   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   3   1   1   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        3   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        1   1   1   1   2   1   1   1   0      2.07579903e-01
   1      1   1   1   1   0   0   0   0   0        1   1   3   1   2   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        1   1   3   3   2   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        3   1   1   1   2   1   1   1   0      7.68070656e-02
   1      1   1   1   1   0   0   0   0   0        3   3   1   1   2   1   1   1   0      -1.64704540e-01
   1      1   1   3   1   0   0   0   0   0        1   1   1   1   2   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   3   1   2   1   1   1   0      2.07579903e-01
   1      1   1   3   1   0   0   0   0   0        1   1   3   3   2   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        3   1   1   1   2   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        3   3   1   1   2   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   1   1   2   1   1   1   0      7.68070656e-02
   1      3   1   1   1   0   0   0   0   0        1   1   3   1   2   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   3   3   2   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        3   1   1   1   2   1   1   1   0      1.27686495e-01
   1      3   1   1   1   0   0   0   0   0        3   3   1   1   2   1   1   1   0      -5.08513652e-02
   1      0   0   0   0   0   0   0   1   0        0   0   0   0   0   1   1   0   0      -2.01831100e-01
   1      0   0   0   0   0   0   0   1   0        0   0   2   0   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        2   0   0   0   0   1   1   0   0      2.05509302e-02
   1      0   0   0   0   0   0   0   1   0        0   0   4   0   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        2   0   2   0   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        2   2   2   2   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        4   0   0   0   0   1   1   0   0      4.19919025e-02

After:

# RELATIVE-CM LSJT
#   version
#   J0 g0 T0_min T0_max symmetry_phase_mode  [P0=(-)^g0]
#   Nmax
#   T0   Nr' lr' Nc' lc' L' S' J' T' g'   Nr lr Nc lc L S J T g   JT-RME
 1
 1 0 1 1 0
 4
   1      1   1   1   1   0   0   0   0   0        1   1   1   1   0   1   1   1   0      -1.98073763e-01
   1      1   1   1   1   0   0   0   0   0        1   1   3   1   0   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        3   1   1   1   0   1   1   1   0      -4.16307108e-02
   1      1   1   3   1   0   0   0   0   0        1   1   1   1   0   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   3   1   0   1   1   1   0      -1.98073763e-01
   1      1   1   3   1   0   0   0   0   0        3   1   1   1   0   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   1   1   0   1   1   1   0      -4.16307108e-02
   1      3   1   1   1   0   0   0   0   0        1   1   3   1   0   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        3   1   1   1   0   1   1   1   0      -1.14243860e-01
   1      1   1   1   1   0   0   0   0   0        2   2   2   2   1   0   1   1   0      0.00000000e+00  <<<
   1      1   1   3   1   0   0   0   0   0        2   2   2   2   1   0   1   1   0      8.73909393e-02  <<<
   1      3   1   1   1   0   0   0   0   0        2   2   2   2   1   0   1   1   0      0.00000000e+00  <<<
   1      1   1   1   1   0   0   0   0   0        1   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        1   1   3   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        3   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   3   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        3   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   3   1   1   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        3   1   1   1   1   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        1   1   1   1   2   1   1   1   0      2.07579903e-01
   1      1   1   1   1   0   0   0   0   0        1   1   3   1   2   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        1   1   3   3   2   1   1   1   0      -0.00000000e+00
   1      1   1   1   1   0   0   0   0   0        3   1   1   1   2   1   1   1   0      7.68070656e-02
   1      1   1   1   1   0   0   0   0   0        3   3   1   1   2   1   1   1   0      -1.64704540e-01
   1      1   1   3   1   0   0   0   0   0        1   1   1   1   2   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        1   1   3   1   2   1   1   1   0      2.07579903e-01
   1      1   1   3   1   0   0   0   0   0        1   1   3   3   2   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        3   1   1   1   2   1   1   1   0      -0.00000000e+00
   1      1   1   3   1   0   0   0   0   0        3   3   1   1   2   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   1   1   2   1   1   1   0      7.68070656e-02
   1      3   1   1   1   0   0   0   0   0        1   1   3   1   2   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        1   1   3   3   2   1   1   1   0      -0.00000000e+00
   1      3   1   1   1   0   0   0   0   0        3   1   1   1   2   1   1   1   0      1.27686495e-01
   1      3   1   1   1   0   0   0   0   0        3   3   1   1   2   1   1   1   0      -5.08513652e-02
   1      0   0   0   0   0   0   0   1   0        0   0   0   0   0   1   1   0   0      -2.01831100e-01
   1      0   0   0   0   0   0   0   1   0        0   0   2   0   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        2   0   0   0   0   1   1   0   0      2.05509302e-02
   1      0   0   0   0   0   0   0   1   0        0   0   4   0   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        2   0   2   0   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        2   2   2   2   0   1   1   0   0      -0.00000000e+00
   1      0   0   0   0   0   0   0   1   0        4   0   0   0   0   1   1   0   0      4.19919025e-02

Many of the other matrix elements differ in phase, but this is just the first few.

Compilation failure on certain systems

Compiling ChiME failed in:

  1. WSL on windows 10 (laptop)
    • error seems to be a failure to recognize certain gsl variables
  2. CORI at NERSC
    • fails to find gsl library (because NERSC stores it in a more expanded version folders system)
  3. lf2 (ISU private node)
    • because by default the correct modules aren't loaded
    • lf2, the problem is solved by using 'module load' on gsl, eigen, and gcc/7.2.0 (default gcc
      doesn't work).

We should consider generalizing the makefile and use config files for particular systems.

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