Machines (details) |
Clock | C4H4
C4H4 |
C4H6 |
Ti2H8 |
Thymine |
Thymine | |
---|---|---|---|---|---|---|---|
MCSCF | MCSCF | GVB | MP2 | RHF | RHF | ||
grad Full NR | grad SOSCF | hessian | energy | gradient | gradient, Direct | ||
PowerBook 520 PPC603e/167Mhz, 40MB with speeddoubler2. Only 50MB disk space. MacGAMESS v90. |
Wall (****) |
**** (****) | 2325 (****) | **** (****) |
**** (****) | **** (****) | **** (****) |
Performa 5430 PPC603e/160Mhz, 16MB+virtual. MacGAMESS v83. |
Wall (5.15) |
**** (****) | 1607 (7.88) | 2354 (6.08) |
**** (****) | 4264 (2.16) | 6233 (4.50) |
Performa 5430 PPC603e/160Mhz, 32MB+1MB virtual with speeddoubler2. MacGAMESS v90. |
Wall (4.75) |
3348 (6.46) | 1021 (5.00) | 2193 (5.67) |
**** (****) | 4345 (2.20) | 6101 (4.40) |
Performa 5430 PPC603e/160Mhz, 32MB+virtual. MacGAMESS v83. |
Wall (4.71) |
**** (****) | 1354 (6.64) | 2230 (5.76) |
**** (****) | 4217 (2.13) | 5967 (4.31) |
IBM RS/6k m350 (ISU) model 350. |
CPU (4.21) |
1540 (3.03) | **** (****) | 2147 (5.62) |
2792 (3.64) | 2542 (3.50) | 7283 (5.27) |
DEC-400S (ISU) AXP4/133Mhz |
CPU (3.37) |
1808 (3.56) | **** (****) | 1382 (3.62) |
2478 (3.23) | 2238 (3.08) | **** (****) |
IBM RS/6k m370 (ISU) model 370, Power/62MHz |
CPU (2.63) |
1057 (2.08) | **** (****) | 1517 (3.97) |
1723 (2.25) | 1613 (2.22) | **** (****) |
Wall (3.03) |
1258 (2.43) | **** (****) | 1532 (3.96) |
5069 (2.91) | 5562 (2.81) | **** (****) | |
Performa 5500 PPC603e/225Mhz, 32MB+4MB virtual memory. MacGAMESS v05 (Jan. 98) |
Wall (2.91) |
1827 (3.53) | 721 (3.53) | 1423 (3.68) |
**** (****) | 2796 (1.41) | 3307 (2.39) |
SG Indigo2 R4400SC/200Mhz, 64MB/2GB HDD. |
CPU (2.80) |
1558 (3.07) | **** (****) | 1090 (2.85) |
1870 (2.44) | **** (****) | 3946 (2.85) |
Wall (2.86) |
1697 (3.28) | **** (****) | 1107 (2.86) |
4237 (2.43) | **** (****) | **** (****) | |
SG O2 R5000SC, 64MB/4GB HDD. SPECfp95= 5.42 |
CPU (2.60) |
1367 (2.69) | **** (****) | 1241 (3.25) |
1668 (2.17) | 1665 (2.29) | 3600 (2.60) |
SG Power Indigo2 R8000, 75MHz, 256MB/4GB HDD. |
CPU (2.31) |
1217 (2.40) | 475 (2.53) | 753 (1.97) |
1480 (1.93) | 1406 (1.94) | 4291 (3.10) |
IBM RS/6k 43P (ISU) PPC 604/132MHz. SPECfp95= 5.23 |
CPU (2.25) |
1001 (1.97) | **** (****) | 1205 (3.15) |
1358 (1.77) | 1542 (2.12) | **** (****) |
IBM SP2 (ISU) Power 2/67MHz, 1 CPU. |
CPU (1.81) |
715 (1.41) | **** (****) | 1008 (2.64) |
1200 (1.56) | 1176 (1.62) | **** (****) |
Wall (1.92) |
769 (1.48) | **** (****) | 1018 (2.63) |
3334 (1.91) | 3266 (1.65) | **** (****) | |
SG O2 R5000SC, 128MB/4GB HDD, gms97feb. SPECfp95= 5.42 |
CPU (2.26) |
1224 (2.41) | 440 (2.34) | 997 (2.61) |
1536 (2.00) | 1426 (1.96) | 3073 (2.22) |
Wall (1.90) |
1261 (2.43) | 454 (2.23) | 1029 (2.66) |
1613 ( .93) | 1748 ( .88) | 3164 (2.28) | |
PowerMac 9500/132 (ISU) See MacGAMESS. |
Wall (1.87) |
**** (****) | **** (****) | **** (****) |
**** (****) | 2977 (1.51) | 3109 (2.24) |
Dragon AXP4/275 AXP4/275Mhz, 256MB/4GB HDD. |
CPU (1.79) |
941 (1.85) | 308 (1.64) | 783 (2.05) |
1295 (1.69) | 1209 (1.67) | 2545 (1.84) |
Wall (1.60) |
960 (1.85) | 327 (1.60) | 790 (2.04) |
1929 (1.11) | 2257 (1.14) | 2551 (1.84) | |
SGI 4*R8k (ISU) R8000/75MHz, 4 CPUs. Mike. |
CPU (1.50) |
696 (1.37) | **** (****) | 607 (1.59) |
1224 (1.60) | 1045 (1.44) | **** (****) |
DEC 250 4/266 AXP4/266Mhz, 192MB/2+4GB HDD, gms97feb. SPECfp95= 5.78 |
CPU (1.61) |
919 (1.81) | 292 (1.55) | 571 (1.49) |
1246 (1.62) | 1076 (1.48) | 2322 (1.68) |
Wall (1.46) |
937 (1.81) | 310 (1.52) | 576 (1.49) |
2027 (1.16) | 2223 (1.12) | 2325 (1.68) | |
IBM RS/6k m3CT 128MB/2GB HDD (Tohoku U.). SPECfp95= 10.20 |
CPU (1.39) |
**** (****) | 223 (1.19) | 502 (1.31) |
1049 (1.37) | 957 (1.32) | 2409 (1.74) |
IBM RS/6k 43P (ISU) PPC 604e/233MHz. SPECfp95= 5.75 |
CPU (1.26) |
603 (1.19) | **** (****) | 619 (1.62) |
716 ( .93) | 950 (1.31) | **** (****) |
iMac (G3/233) PPC750/233MHz, 96MB with 4GB (1.5GB partition), MacGAMESS v11. |
Wall (1.26) |
823 (1.59) | 341 (1.67) | 531 (1.37) |
1758 (1.01) | 1495 ( .76) | 1583 (1.14) |
Dragon AXP5/300Tm AXP5/300MHz, 128MB/4GB HDD. SPECfp95= 12.40 |
CPU (1.01) |
540 (1.06) | 193 (1.03) | 398 (1.04) |
750 ( .98) | 670 ( .92) | 1410 (1.02) |
Wall (1.24) |
570 (1.10) | 220 (1.08) | 408 (1.05) |
2787 (1.60) | 3141 (1.59) | 1444 (1.04) | |
Power Mac G3 DT/266 PPC750/266MHz, 96MB with 4GB (1GB partition), MacGAMESS v06. |
Wall (1.24) |
806 (1.56) | 400 (1.96) | 498 (1.29) |
1271 ( .73) | 1947 ( .98) | 1309 ( .94) |
SG Solid-Impact R10000SC/195MHz, 128MB/4GB HDD. SPECfp95= 10.60 |
CPU (1.00) |
555 (1.09) | 227 (1.21) | 367 ( .96) |
702 ( .92) | 601 ( .83) | 1401 (1.01) |
Dragon AXP5/300EB AXP5/300MHz, 256MB/2+4GB HDD. gms97apr. SPECfp95= 12.40 |
CPU (1.00) |
508 (1.00) | 188 (1.00) | 382 (1.00) |
767 (1.00) | 726 (1.00) | 1383 (1.00) |
Wall (1.00) |
518 (1.00) | 204 (1.00) | 387 (1.00) |
1743 (1.00) | 1978 (1.00) | 1386 (1.00) | |
DEC 500/333 AXP5/333MHz, 384MB/2GB HDD. SPECfp95= 12.50 |
CPU ( .93) |
459 ( .90) | **** (****) | 435 (1.14) |
644 ( .84) | 647 ( .89) | 1234 ( .89) |
Wall ( .96) |
470 ( .91) | **** (****) | 439 (1.13) |
1813 (1.04) | 1639 ( .83) | 1238 ( .89) | |
Dragon AXP5/433 Linux AXP5/433Mhz, Red Hat 4.2, 128MB/2GB HDD. DEC UNIX binary. SPECfp95= 18.10 |
CPU ( .87) |
454 ( .89) | 164 ( .87) | 334 ( .87) |
739 ( .96) | 644 ( .89) | 1041 ( .75) |
Wall ( .90) |
460 ( .89) | 167 ( .82) | 337 ( .87) |
1928 (1.11) | 1855 ( .94) | 1045 ( .75) | |
SG Power Challenge (ISU) R10000/194MHz. SPECfp95= 13.80 |
CPU ( .85) |
512 (1.01) | **** (****) | 346 ( .91) |
603 ( .79) | 499 ( .69) | **** (****) |
SGI 8*R10k (ISU) R10000/196Mhz, 8 CPUs. Mike. |
CPU ( .85) |
512 (1.01) | **** (****) | 345 ( .90) |
603 ( .79) | 499 ( .69) | **** (****) |
Dragon AXP5/433 Linux AXP5/433Mhz, Red Hat 5.0, 128MB/2GB HDD. DEC UNIX binary. SPECfp95= 18.10 |
CPU ( .87) |
449 ( .88) | 165 ( .88) | 317 ( .83) |
721 ( .94) | 670 ( .92) | 1040 ( .75) |
Wall ( .83) |
451 ( .87) | 169 ( .83) | 318 ( .82) |
1548 ( .89) | 1646 ( .83) | 1041 ( .75) | |
Dragon AXP5/300 (Tm+EB) AXP5/300Mhz, 2 CPUs. |
CPU ( .61) |
328 ( .65) | 135 ( .72) | 229 ( .60) |
534 ( .70) | 346 ( .48) | 713 ( .52) |
Wall ( .75) |
385 ( .74) | 162 ( .79) | 243 ( .63) |
1688 ( .97) | 1614 ( .82) | 727 ( .52) | |
Dragon AXP5/ (300+433) AXP5/300MHz and 433MHz(daughter), 2 CPUs. |
CPU ( .61) |
**** (****) | 139 ( .74) | 205 ( .54) |
541 ( .71) | **** (****) | 622 ( .45) |
Wall ( .74) |
**** (****) | 191 ( .94) | 259 ( .67) |
1572 ( .90) | **** (****) | 646 ( .47) | |
Dragon AXP5/ (433+300) AXP5/433MHz and 300MHz(daughter). Mike |
CPU ( .52) |
**** (****) | 108 ( .57) | 193 ( .51) |
420 ( .55) | **** (****) | 635 ( .46) |
Wall ( .72) |
**** (****) | 176 ( .86) | 245 ( .63) |
1604 ( .92) | **** (****) | 659 ( .48) | |
SUN E450 (ISU) Ultra SPARC2, 2GB memory, 45GB HDD. |
CPU ( .67) |
369 ( .73) | **** (****) | 262 ( .69) |
527 ( .69) | 430 ( .59) | **** (****) |
Pentium 2/450MHz 450MHz, Red Hat Linux. See Pentinum page. |
CPU ( .75) |
387 ( .76) | 127 ( .68) | 299 ( .78) |
468 ( .61) | 564 ( .78) | 1263 ( .91) |
Wall ( .65) |
388 ( .75) | 128 ( .63) | 299 ( .77) |
480 ( .28) | 1129 ( .57) | 1263 ( .91) | |
Dragon AXP5/433PC AXP5/433MHz, Ultra wide 10000rpm-HDD. 512MB memory, DEC unix 4.0B, F4.1. SPECfp95= 18.10 |
CPU ( .75) |
404 ( .80) | 147 ( .78) | 286 ( .75) |
568 ( .74) | 533 ( .73) | 982 ( .71) |
Wall ( .65) |
409 ( .79) | 154 ( .75) | 289 ( .75) |
578 ( .33) | 1093 ( .55) | 985 ( .71) | |
Dragon AXP5/433PC AXP5/433MHz, Ultra wide 10000rpm-HDD. 512MB memory, DEC unix 4.0B, F5.0. SPECfp95= 18.10 |
CPU ( .72) |
405 ( .80) | 134 ( .71) | 278 ( .73) |
532 ( .69) | 515 ( .71) | 979 ( .71) |
Wall ( .63) |
410 ( .79) | 141 ( .69) | 281 ( .73) |
540 ( .31) | 1094 ( .55) | 981 ( .71) | |
DEC 500/500 (ISU) AXP5/500MHz. SPECfp95= 20.40 |
CPU ( .63) |
328 ( .65) | **** (****) | 263 ( .69) |
439 ( .57) | 437 ( .60) | **** (****) |
Dragon AXP5/433PC AXP5/433MHz, Ultra wide 7200rpm-HDD. 1GB memory ! DEC unix 4.0B. SPECfp95= 18.10 |
CPU ( .75) |
408 ( .80) | 151 ( .80) | 279 ( .73) |
583 ( .76) | 485 ( .67) | 1006 ( .73) |
Wall ( .60) |
414 ( .80) | 159 ( .78) | 282 ( .73) |
586 ( .34) | 488 ( .25) | 1007 ( .73) | |
Dragon AXP5/300 (3CPUs) AXP5/300Mhz (EB+Tm+EB), Dragon. |
CPU ( .46) |
238 ( .47) | 113 ( .60) | 164 ( .43) |
419 ( .55) | 268 ( .37) | 474 ( .34) |
Wall ( .54) |
299 ( .58) | 146 ( .72) | 184 ( .48) |
1178 ( .68) | 897 ( .45) | 487 ( .35) | |
Dragon AXP5/500 AXP5/500Mhz, 1GB memory/4+9GB HDD. DEC UNIX 4.0B, Fortran 90. gms98jan. SPECfp95= 19.50 |
CPU ( .64) |
336 ( .66) | 128 ( .68) | 250 ( .65) |
486 ( .63) | 418 ( .58) | 856 ( .62) |
Wall ( .51) |
339 ( .65) | 135 ( .66) | 252 ( .65) |
487 ( .28) | 421 ( .21) | 857 ( .62) | |
Dragon AXP5/500 AXP5/500Mhz, 1GB memory/4+9GB HDD. DEC UNIX 4.0B, Fortran 90. gms97sep. SPECfp95= 19.50 |
CPU ( .63) |
338 ( .67) | 127 ( .68) | 251 ( .66) |
477 ( .62) | 413 ( .57) | 843 ( .61) |
Wall ( .51) |
341 ( .66) | 134 ( .66) | 254 ( .66) |
480 ( .28) | 415 ( .21) | 844 ( .61) | |
Dragon AXP5/533 AXP5/533Mhz, 512MB memory, 9GB HDD, 10000rpm-HDD. SPECfp95= 21.90 |
CPU ( .56) |
308 ( .61) | 103 ( .55) | 224 ( .59) |
411 ( .54) | 392 ( .54) | 753 ( .54) |
Wall ( .51) |
315 ( .61) | 110 ( .54) | 227 ( .59) |
422 ( .24) | 1058 ( .53) | 754 ( .54) | |
Dragon AXP5/533 AXP5/533Mhz, clock-up to 600Mhz, 512MB memory, 9GB HDD, 10000rpm-HDD. SPECfp95= 21.90 |
CPU ( .51) |
277 ( .55) | 94 ( .50) | 201 ( .53) |
376 ( .49) | 354 ( .49) | 677 ( .49) |
Wall ( .46) |
282 ( .54) | 100 ( .49) | 204 ( .53) |
378 ( .22) | 1026 ( .52) | 678 ( .49) | |
Dragon AXP5/ (433+433) AXP5/433Mhz, 2 CPUs. 1GB memory helps I/O velocity very much ! |
CPU ( .47) |
231 ( .45) | 106 ( .56) | 200 ( .52) |
398 ( .52) | 247 ( .34) | 538 ( .39) |
Wall ( .41) |
279 ( .54) | 122 ( .60) | 210 ( .54) |
422 ( .24) | 273 ( .14) | 549 ( .40) | |
Compaq, XP1000 Alpha 21264, 500MHz, no more information. Nagoya U. |
CPU ( .29) |
**** (****) | **** (****) | 119 ( .31) |
210 ( .27) | 202 ( .28) | 420 ( .30) |
Wall ( .36) |
**** (****) | **** (****) | 119 ( .31) |
824 ( .47) | 686 ( .35) | 421 ( .30) | |
Dragon (533*2) AXP5/533Mhz, 512MB memory, 9GB HDD, 2 CPUs. |
CPU ( .34) |
184 ( .36) | 72 ( .38) | 141 ( .37) |
281 ( .37) | 182 ( .25) | 395 ( .29) |
Wall ( .29) |
209 ( .40) | 84 ( .41) | 149 ( .39) |
305 ( .17) | 188 ( .10) | 407 ( .29) | |
Dragon (533*2) AXP5/533Mhz, clock up to 600Mhz, 512MB memory, 9GB HDD, 2 CPUs. |
CPU ( .31) |
168 ( .33) | 66 ( .35) | 131 ( .34) |
260 ( .34) | 170 ( .23) | 358 ( .26) |
Wall ( .27) |
192 ( .37) | 79 ( .39) | 138 ( .36) |
282 ( .16) | 175 ( .09) | 370 ( .27) |