INFO: Using directory: "3" INFO: Using existing c-file: ./Test_Absorption.c INFO: Using existing binary: ./Test_Absorption.out WARNING: Ignoring invalid parameter: "Test_Absorption.instr" INFO: === Simulation 'Test_Absorption' (/home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/Test_Absorption/Test_Absorption.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize [Test_Absorption] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Mn.txt' (Table_Read_Offset) sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done Reusing input file 'Mn.txt' (Table_Read_Offset) INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt Reusing input file 'Mn.txt' (Table_Read_Offset) Loading geometry file (OFF/PLY): cube.off Number of vertices: 8 Number of polygons: 6 Warning: Aspect ratio of the geometry cube.off was modified. If you want to keep the original proportions, specifiy only one of the dimensions. Bounding box dimensions for geometry cube.off: Length=0.001000 (0.100%) Width= 0.001000 (0.100%) Depth= 0.000100 (0.010%) sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan1: Rebinning material data (Mn.txt) for faster tracing...done INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' INFO: sample_scan2: Setting rho_o=7.43 from Mn.txt sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan3: Volume[1], material='Mn.txt' geometry='cube.off' sample_scan4: Material Mn mass fractions: | 1e+02 %: Z= 25 Mn 54.9 [g/mol] 7.44 [g/cm3] sample_scan4: Material Mn M=54.94 [g/mol] density=7.44 [g/cm3] rho=0.0815521 [at/Angs-3] WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. WARNING: (Table_Rebin): Rebinning table from Mn.txt would exceed 1M rows. Skipping. Warning: sample_scan2: Invalid inner volume specification. Ignoring. Trace ETA 0 [s] % 1539 Trace ETA 0 [s] % 1240 Trace ETA 0 [s] % 1441 Trace ETA 1 [s] % 641 Trace ETA 0 [s] % 1339 Trace ETA 7 [s] % 141 Trace ETA 1 [s] % 840 Trace ETA 1 [s] % 739 Trace ETA 27 [s] % 40 Trace ETA 1 [s] % 941 Trace ETA 4 [s] % 240 Trace ETA 2 [s] % 539 Trace ETA 3 [s] % 340 Trace ETA 1 [s] % 1040 Trace ETA 2 [s] % 440 Trace ETA 0 [s] % 1140 1340 540 341 1540 241 1041 41 740 942 642 1241 841 1442 142 441 1141 1341 541 342 1541 242 1042 42 741 943 643 1242 1443 143 842 442 1142 1342 542 343 1542 243 1043 43 742 944 644 1243 1444 144 843 443 1143 1343 543 344 1543 244 1044 44 945 743 645 1445 145 1244 844 444 1144 1344 544 345 1544 245 1045 45 946 646 744 1446 146 1245 845 1145 445 1345 545 346 1545 246 1046 46 947 647 745 1447 147 1246 846 1146 446 1346 546 347 1546 247 1047 47 948 648 1448 148 746 1247 847 1147 447 1347 348 547 1547 248 1048 48 949 649 1449 149 747 1248 848 1148 448 1348 349 548 1548 249 1049 49 950 650 1450 150 748 1249 849 1149 449 350 1349 549 1549 250 1050 951 50 651 1451 151 749 1250 850 1150 450 351 1350 550 1550 251 1051 952 51 652 1452 152 1251 750 851 1151 451 352 1351 551 1551 252 953 1052 653 52 1453 153 1252 751 852 1152 353 452 1352 552 954 253 1552 1053 654 53 1454 154 1253 853 752 354 1153 453 1353 553 955 254 655 1054 1553 54 1455 155 1254 854 753 355 1154 454 1354 554 956 656 255 1055 1554 55 1456 156 1255 855 356 754 1155 455 1355 555 957 657 256 1056 56 1555 1457 157 1256 856 357 755 1156 456 1356 556 958 658 257 1057 57 1458 158 1556 1257 857 358 756 1157 457 1357 557 959 659 258 1058 1459 159 58 1557 1258 858 359 1158 757 458 1358 558 960 660 259 1059 1460 160 59 1558 1259 360 859 1159 459 758 1359 559 961 661 260 1060 161 1461 60 1559 361 1260 860 1160 460 759 1360 560 962 662 261 162 1462 1061 61 1560 362 1261 861 1161 461 760 1361 561 963 663 163 1463 262 1062 62 1561 363 1262 862 1162 462 761 1362 562 964 664 1464 164 263 1063 63 1562 364 1263 863 1163 463 1363 762 563 965 665 1465 165 264 1064 64 1563 365 1264 864 1164 464 1364 763 966 564 666 1466 166 265 1065 65 1564 366 1265 865 1165 465 1365 967 764 565 667 1467 167 266 1066 66 1565 367 1266 866 1166 466 968 1366 668 765 566 1468 168 267 1067 67 1566 368 1267 867 1167 467 969 1367 669 567 766 1469 169 268 1068 68 1567 369 1268 868 1168 468 970 670 1368 568 767 1470 170 269 1069 69 370 1568 1269 869 1169 971 469 671 1369 569 1471 171 768 270 1070 70 371 1569 1270 870 972 1170 470 672 1370 172 1472 570 769 271 1071 71 372 1570 1271 871 973 1171 471 673 1371 173 1473 571 770 272 1072 72 373 1571 1272 872 974 674 1172 472 1372 174 1474 572 771 273 1073 73 374 1572 1273 873 975 675 1173 473 1475 175 1373 573 772 274 1074 74 375 1573 1274 874 976 676 1174 474 1476 176 1374 574 275 773 1075 75 376 1574 1275 977 875 677 1175 475 1477 177 1375 575 276 1076 774 76 377 1575 1276 978 876 678 1176 476 1478 178 1376 576 277 1077 775 77 378 1576 979 1277 679 877 1479 1177 179 477 1377 577 278 1078 78 776 379 980 1577 1278 680 878 1480 180 1178 478 1378 578 279 1079 79 777 380 981 1578 1279 681 879 1481 181 1179 479 1379 579 280 1080 80 778 381 982 682 1579 1280 880 1482 182 1180 480 1380 580 281 1081 81 779 382 983 683 1580 1281 881 1483 183 1181 481 1381 581 282 1082 82 780 383 984 684 1282 1581 882 1484 184 482 1182 1382 582 283 1083 83 384 781 985 685 1283 1582 883 1485 185 483 1183 1383 284 583 1084 84 385 782 986 686 1284 1583 1486 884 186 484 1184 1384 285 584 1085 85 386 783 987 687 1285 1487 187 1584 885 485 1185 1385 286 1086 585 86 387 784 988 688 1488 1286 188 886 1585 486 1186 1386 287 1087 586 87 388 989 785 689 1489 189 1287 887 1586 487 1187 1387 288 1088 587 88 389 990 786 690 1490 190 1288 888 1587 488 1188 1388 289 1089 588 89 390 991 691 787 1491 191 1289 889 1588 489 1189 1389 290 1090 589 90 391 992 692 788 1492 192 1290 890 1589 1190 490 1390 291 1091 590 91 392 993 693 789 1493 193 1291 891 1590 491 1191 292 1391 1092 92 591 393 994 694 790 1494 194 1292 892 1591 1192 492 293 1093 1392 93 592 394 995 695 1495 791 195 1293 893 1592 1193 493 294 1094 1393 94 395 593 996 696 1496 196 792 1294 894 1593 1194 494 295 1095 1394 95 396 594 997 697 1497 197 793 1295 895 1594 1195 495 296 1096 1395 397 96 595 998 698 1498 198 794 1296 896 1595 496 1196 297 1097 1396 398 97 999 596 699 1499 199 795 1297 897 1596 1197 497 298 1098 399 1397 98 597 796 1298 898 1597 1198 498 299 1099 1398 99 598 797 1299 899 1598 1199 499 *** TRACE end *** 1399 599 798 1599 799 Save [Test_Absorption] Detector: emon_I=8.21262e-12 emon_ERR=5.8717e-15 emon_N=5.20181e+06 "emon.dat" Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 Detector: psd_I=8.67448e-09 psd_ERR=1.85409e-12 psd_N=4.39458e+07 "psd.dat" Finally [Test_Absorption: 3]. Time: 27 [s] sample_scan4: scattered intensity: fluo=0 Compton=0 Rayleigh=0 INFO: Placing instr file copy /home/nexmap/pkwi/xTESTS/2023-12-20/McXtrace_CPU_MPICC_KISS_5e7/Test_Absorption/Test_Absorption.instr in dataset 3