Task 38674277
| Name | test_871-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6506_0 |
| Workunit | 31616322 |
| Created | 26 Oct 2026, 4:48:20 UTC |
| Sent | 26 Oct 2026, 4:48:32 UTC |
| Report deadline | 31 Oct 2026, 4:48:32 UTC |
| Received | 26 Oct 2026, 5:44:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 54 min 58 sec |
| CPU time | 52 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 750.25 MB |
| Peak swap size | 13.42 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:45:10 (7784): wrapper (7.9.26016): starting
11:45:10 (7784): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
11:45:13 (7784): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:45:13 (7784): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\36\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\36\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
tar: r0/checkpoint.xml: time stamp 2026-10-26 11:46:59 is 94.2982146 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-26 11:47:00 is 94.9765287 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-26 11:47:07 is 101.6554038 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-26 11:47:08 is 102.3318278 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-26 11:47:09 is 103.0115511 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-26 11:47:10 is 103.6716701 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-26 11:47:11 is 104.3423138 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-26 11:47:12 is 105.0082328 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-26 11:47:12 is 104.6842915 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-26 11:47:13 is 105.3556432 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-26 11:47:14 is 106.025726 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-26 11:47:15 is 106.7006464 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-26 11:47:00 is 91.3775423 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-26 11:47:16 is 107.0567277 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-26 11:47:17 is 107.7364293 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-26 11:47:01 is 91.4137845 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-26 11:47:02 is 92.0920133 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-26 11:47:03 is 92.7681108 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-26 11:47:04 is 93.4605445 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-26 11:47:05 is 94.1449185 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-26 11:47:06 is 94.826198 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-26 11:47:06 is 94.51268 s in the future
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:38:58 (7784): C:/Windows/system32/cmd.exe exited; CPU time 3170.484375
12:38:58 (7784): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 47812891 bytes.
Dumping objects ->
{3835242} normal block at 0x0000014BF5B1F660, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000014BF5B20150, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x0000014BF5B1F270, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835209} normal block at 0x0000014BF5B1F7B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000014BF3E56250, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835167} normal block at 0x0000014BF5B6DE10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835154} normal block at 0x0000014BF3E4CD30, 8 bytes long.
Data: < &ôK > 00 00 26 F4 4B 01 00 00
{3833985} normal block at 0x0000014BF3E4CCE0, 8 bytes long.
Data: <ðµçóK > F0 B5 E7 F3 4B 01 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000014BF3E537B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000014BF3E47D40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x0000014BF3E57940, 16 bytes long.
Data: < ‹åóK > 98 8B E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000014BF3E57F80, 16 bytes long.
Data: <p‹åóK > 70 8B E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000014BF3E50870, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x0000014BF3E583E0, 16 bytes long.
Data: <H‹åóK > 48 8B E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000014BF3E58340, 16 bytes long.
Data: < ‹åóK > 20 8B E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000014BF3E575D0, 16 bytes long.
Data: <øŠåóK > F8 8A E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000014BF3E582F0, 16 bytes long.
Data: <ЊåóK > D0 8A E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000014BF3E55C30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x0000014BF3E578A0, 16 bytes long.
Data: <htåóK > 68 74 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000014BF3E50810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x0000014BF3E57D00, 16 bytes long.
Data: <@tåóK > 40 74 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000014BF3E57EE0, 16 bytes long.
Data: < tåóK > 18 74 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000014BF3E582A0, 16 bytes long.
Data: <ðsåóK > F0 73 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000014BF3E57AD0, 16 bytes long.
Data: <ÈsåóK > C8 73 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000014BF3E58200, 16 bytes long.
Data: < såóK > A0 73 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000014BF3E57850, 16 bytes long.
Data: <xsåóK > 78 73 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014BF3E50D50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x0000014BF3E578F0, 16 bytes long.
Data: <PsåóK > 50 73 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014BF3E57350, 320 bytes long.
Data: <ðxåóK P åóK > F0 78 E5 F3 4B 01 00 00 50 0D E5 F3 4B 01 00 00
{288} normal block at 0x0000014BF3E58520, 16 bytes long.
Data: <°ŠåóK > B0 8A E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000014BF3E57670, 16 bytes long.
Data: < ŠåóK > 88 8A E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000014BF3E50690, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x0000014BF3E58160, 16 bytes long.
Data: <`ŠåóK > 60 8A E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014BF3E50AB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x0000014BF3E57A80, 16 bytes long.
Data: <¨‰åóK > A8 89 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014BF3E579E0, 16 bytes long.
Data: < 䌗K > 80 89 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014BF3E58250, 16 bytes long.
Data: <X䌗K > 58 89 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000014BF3E57A30, 16 bytes long.
Data: <0䌗K > 30 89 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014BF3E57F30, 16 bytes long.
Data: < 䌗K > 08 89 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000014BF3E58110, 16 bytes long.
Data: <à åóK > E0 88 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014BF3E58020, 16 bytes long.
Data: <ð]åóK > F0 5D E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014BF3E55DF0, 40 bytes long.
Data: < åóK Þ¶õK > 20 80 E5 F3 4B 01 00 00 10 DE B6 F5 4B 01 00 00
{274} normal block at 0x0000014BF3E576C0, 16 bytes long.
Data: <À åóK > C0 88 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014BF3E58390, 16 bytes long.
Data: < åóK > 98 88 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014BF3E4FE50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x0000014BF3E57B20, 16 bytes long.
Data: <p åóK > 70 88 E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014BF3E58870, 992 bytes long.
Data: < {åóK PþäóK > 20 7B E5 F3 4B 01 00 00 50 FE E4 F3 4B 01 00 00
{106} normal block at 0x0000014BF3E50A50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x0000014BF3E4C740, 16 bytes long.
Data: <@_åóK > 40 5F E5 F3 4B 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x0000014BF3E55F40, 40 bytes long.
Data: <@ÇäóK P åóK > 40 C7 E4 F3 4B 01 00 00 50 0A E5 F3 4B 01 00 00
{83} normal block at 0x0000014BF3E4C330, 16 bytes long.
Data: < êž"ö > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000014BF3E4CC40, 16 bytes long.
Data: <@éž"ö > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000014BF3E4C9C0, 16 bytes long.
Data: <øW›"ö > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000014BF3E4CA60, 16 bytes long.
Data: <ØW›"ö > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000014BF3E4C290, 16 bytes long.
Data: <P ›"ö > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000014BF3E4C1A0, 16 bytes long.
Data: <0 ›"ö > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000014BF3E4C970, 16 bytes long.
Data: <à ›"ö > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000014BF3E4C100, 16 bytes long.
Data: < ›"ö > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000014BF3E4C920, 16 bytes long.
Data: <p ›"ö > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000014BF3E4C150, 16 bytes long.
Data: < À "ö > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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