Task 38674394
| Name | test_318-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8412_0 |
| Workunit | 31616433 |
| Created | 26 Oct 2026, 5:10:18 UTC |
| Sent | 26 Oct 2026, 5:10:21 UTC |
| Report deadline | 31 Oct 2026, 5:10:21 UTC |
| Received | 26 Oct 2026, 5:53:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 42 min 15 sec |
| CPU time | 40 min 27 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 | 749.00 MB |
| Peak swap size | 13.43 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:06:50 (9368): wrapper (7.9.26016): starting
12:06:50 (9368): 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
12:06:52 (9368): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:06:52 (9368): 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\35\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\35\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 12:09:14 is 131.1410477 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-26 12:09:14 is 130.8222088 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-26 12:09:19 is 135.5012932 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-26 12:09:19 is 135.1844742 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-26 12:09:20 is 135.8657442 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-26 12:09:20 is 135.5456574 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-26 12:09:21 is 136.2386736 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-26 12:09:22 is 136.9122471 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-26 12:09:22 is 136.588844 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-26 12:09:23 is 137.2617891 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-26 12:09:23 is 136.9393539 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-26 12:09:24 is 137.618205 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-26 12:09:15 is 128.3104045 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-26 12:09:24 is 136.9894144 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-26 12:09:25 is 137.6649709 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-26 12:09:16 is 128.3365532 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-26 12:09:16 is 128.0144772 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-26 12:09:17 is 128.6710399 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-26 12:09:17 is 128.3492953 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-26 12:09:18 is 129.0264568 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-26 12:09:18 is 128.7025446 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-26 12:09:19 is 129.3945596 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
12:48:03 (9368): C:/Windows/system32/cmd.exe exited; CPU time 2427.843750
12:48:03 (9368): 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: 36367249 bytes.
Dumping objects ->
{3835242} normal block at 0x0000019901881560, 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 0x0000019901880F40, 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 0x0000019901880FB0, 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 0x0000019901880D80, 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 0x000001997F9D61E0, 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 0x00000199018CC3E0, 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 0x000001997F9CD5E0, 8 bytes long.
Data: < g > 00 00 67 01 99 01 00 00
{3833985} normal block at 0x000001997F9CD0E0, 8 bytes long.
Data: <pêª > 70 EA AA 7F 99 01 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001997F9DA140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001997F9C8D70, 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 0x000001997F9D8220, 16 bytes long.
Data: <ø† > F8 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001997F9D7960, 16 bytes long.
Data: <І > D0 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001997F9D1CA0, 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 0x000001997F9D7910, 16 bytes long.
Data: <¨† > A8 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001997F9D81D0, 16 bytes long.
Data: < † > 80 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001997F9D7D20, 16 bytes long.
Data: <X† > 58 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001997F9D8040, 16 bytes long.
Data: <0† > 30 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001997F9D6090, 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 0x000001997F9D75A0, 16 bytes long.
Data: <¸½œ > B8 BD 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001997F9D1880, 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 0x000001997F9D7410, 16 bytes long.
Data: < ½œ > 90 BD 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001997F9D8130, 16 bytes long.
Data: <h½œ > 68 BD 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001997F9D7FA0, 16 bytes long.
Data: <@½œ > 40 BD 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001997F9D7B90, 16 bytes long.
Data: < ½œ > 18 BD 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001997F9D80E0, 16 bytes long.
Data: <𼜠> F0 BC 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001997F9D7BE0, 16 bytes long.
Data: <ȼœ > C8 BC 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001997F9D1A00, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{290} normal block at 0x000001997F9D78C0, 16 bytes long.
Data: < ¼œ > A0 BC 9C 7F 99 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001997F9CBCA0, 320 bytes long.
Data: <Àx > C0 78 9D 7F 99 01 00 00 00 1A 9D 7F 99 01 00 00
{288} normal block at 0x000001997F9D7AA0, 16 bytes long.
Data: < † > 10 86 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001997F9D7870, 16 bytes long.
Data: <è… > E8 85 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001997F9D17C0, 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 0x000001997F9D7460, 16 bytes long.
Data: <À… > C0 85 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001997F9D1460, 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 0x000001997F9D8310, 16 bytes long.
Data: < … > 08 85 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001997F9D74B0, 16 bytes long.
Data: <à„ > E0 84 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001997F9D7820, 16 bytes long.
Data: <¸„ > B8 84 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001997F9D8360, 16 bytes long.
Data: < „ > 90 84 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001997F9D7780, 16 bytes long.
Data: <h„ > 68 84 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001997F9D7550, 16 bytes long.
Data: <@„ > 40 84 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001997F9D7AF0, 16 bytes long.
Data: <ð] > F0 5D 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001997F9D5DF0, 40 bytes long.
Data: <ðz àÃŒ > F0 7A 9D 7F 99 01 00 00 E0 C3 8C 01 99 01 00 00
{274} normal block at 0x000001997F9D8090, 16 bytes long.
Data: < „ > 20 84 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001997F9D77D0, 16 bytes long.
Data: <øƒ > F8 83 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001997F9D1C40, 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 0x000001997F9D7730, 16 bytes long.
Data: <Ѓ > D0 83 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001997F9D83D0, 992 bytes long.
Data: <0w @ > 30 77 9D 7F 99 01 00 00 40 1C 9D 7F 99 01 00 00
{106} normal block at 0x000001997F9D10A0, 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 0x000001997F9CDB30, 16 bytes long.
Data: < ] > 10 5D 9D 7F 99 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000001997F9D5D10, 40 bytes long.
Data: <0Ûœ   > 30 DB 9C 7F 99 01 00 00 A0 10 9D 7F 99 01 00 00
{83} normal block at 0x000001997F9CCFA0, 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 0x000001997F9CD090, 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 0x000001997F9CD360, 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 0x000001997F9CD950, 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 0x000001997F9CCF50, 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 0x000001997F9CD630, 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 0x000001997F9CDD60, 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 0x000001997F9CD7C0, 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 0x000001997F9CD310, 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 0x000001997F9CD900, 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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