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Some types of SMILE crash Gypsum_dl #9

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saurabh2804 opened this issue Nov 10, 2024 · 0 comments
Open

Some types of SMILE crash Gypsum_dl #9

saurabh2804 opened this issue Nov 10, 2024 · 0 comments

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@saurabh2804
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These crash my Gypsum_DL. I always run with MPI since this is part of a large library:

N(=C(\Nc1nc2c(c(n1)C)cccc2OC)/N)/C(=O)c1c(NC)cccc1	STOCK1N-25557
c1(N/C(=N/C(=O)CC)/N)nc2c(c(n1)C)ccc(c2)OCC	STOCK1N-00864
C[NH+]1C=CC(=C2C1=Nc1c2cccc1)C.[Cl-]	STOCK1N-01307
CN(/C=N/c1cc2nc3n(C)c(=O)n(c(=O)c3nc2cc1C)C)C	STOCK1N-23733
CNc1ccccc1C(=O)/N=C(/Nc1nc(C)c2c(n1)ccc(c2)OC)\N	STOCK1N-26134
COc1nc(N/C(=N\C(=O)C)/NC(=O)C)nc2c1cc(C)cc2	STOCK1N-15202
COc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)C)/N	STOCK1N-06125
O=C(N/C(=N/C(=O)OCc1ccccc1)/NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)OCc1ccccc1)OCc1ccccc1	STOCK1N-24654
CCOc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)C)/N	STOCK1N-11000
Cc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)C)/N	STOCK1N-01170
CN(/C=N/c1ncnc2c1c1[nH]c3c(c1cn2)cccc3)C	STOCK1N-19514
CNc1nc(/C=[N+](/c2ccc(cc2)N(C)C)\[O-])c2c(n1)n(C)c(=O)cc2	STOCK1N-21221
O=C1/C(=N/Nc2ccc3c(c2)c2ccccc2o3)/Nc2c1cc1oc3c(c1c2)cccc3	STOCK1N-31362
COc1cc(CCN/C(=N\C(=O)Nc2ccccc2)/Nc2nc(C)cc(n2)C)ccc1OC	STOCK1N-31380

Error:
Abort(1) on node 2 (rank 2 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2

Regards

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