atom=X option broken

[rjgildea]

Setting the atom= option causes fast_ep to fail:

$ fast_ep data=/dls/i04/data/2021/cm28182-3/processed/20210716/test_crystal_1/fast_dp/fast_dp.mtz machines=10 atom=S
Using 4 cpus / 10 machines
Input:       /dls/i04/data/2021/cm28182-3/processed/20210716/test_crystal_1/fast_dp/fast_dp.mtz
N try:       200
Dataset:     sad
Columns:     I(+),SIGI(+),I(-),SIGI(-),merged
Unit cell:   58.20 58.20 150.54 90.00 90.00 90.00
Pointgroup:  P 4 2 2
Resolution:  29.10 - 1.78
Nrefl:       47611 / 21724
DF/F:        0.037
dI/sig(dI):  0.935
Spacegroups: P422 P4212 P4122 P41212 P4222 P42212
SHELXC summary:
Dmin  <I/sig>  %comp  <d"/sig>
 9.54  131.70   82.30   2.64
 5.87  106.10   96.50   2.06
 4.42  104.60   99.60   1.43
 3.61  100.10  100.00   1.19
 3.09   76.90  100.00   1.12
 2.72   48.50  100.00   1.00
 2.44   30.20  100.00   0.86
 2.22   22.90  100.00   0.83
 2.05   16.40  100.00   0.80
 1.90    9.90  100.00   0.78
 1.78    5.40   98.90   0.76
Anomalous limits: 1.78
Running 30 x shelxd_mp jobs
*** FIND: All SHELXD tasks failed to complete ***