Task 38678085
| Name | test_825-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0791_0 |
| Workunit | 31619926 |
| Created | 26 Oct 2026, 16:19:39 UTC |
| Sent | 26 Oct 2026, 16:19:43 UTC |
| Report deadline | 31 Oct 2026, 16:19:43 UTC |
| Received | 27 Oct 2026, 4:00:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 57 min 40 sec |
| CPU time | 1 hours 35 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.73 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:06:44 (90336): wrapper (7.9.26016): starting
21:06:44 (90336): 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
21:06:46 (90336): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:06:46 (90336): 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\0\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\0\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: 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
23:00:30 (90336): C:/Windows/system32/cmd.exe exited; CPU time 5746.531250
23:00:30 (90336): 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: 253197769 bytes.
Dumping objects ->
{3835485} normal block at 0x000002A56BCD3ED0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000002A56BCD3DF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x000002A56BCD4250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x000002A56BCD3D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x000002A56BCD42C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000002A56DF9D8E0, 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) : {3835397} normal block at 0x000002A56BCC9030, 8 bytes long.
Data: < Êk¥ > 00 00 CA 6B A5 02 00 00
{3833949} normal block at 0x000002A56BCC9440, 8 bytes long.
Data: <PÉÏk¥ > 50 C9 CF 6B A5 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002A56BCC52C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A56BCCF5D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000002A56BCD4B70, 16 bytes long.
Data: <(WÍk¥ > 28 57 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A56BCD5200, 16 bytes long.
Data: < WÍk¥ > 00 57 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A56BCCFC20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000002A56BCD4B20, 16 bytes long.
Data: <ØVÍk¥ > D8 56 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A56BCD5020, 16 bytes long.
Data: <°VÍk¥ > B0 56 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A56BCD4A80, 16 bytes long.
Data: < VÍk¥ > 88 56 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A56BCD4C10, 16 bytes long.
Data: <`VÍk¥ > 60 56 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A56BCD3FB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000002A56BCD4990, 16 bytes long.
Data: <xôËk¥ > 78 F4 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A56BCCFB00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000002A56BCD4DA0, 16 bytes long.
Data: <PôËk¥ > 50 F4 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A56BCD48F0, 16 bytes long.
Data: <(ôËk¥ > 28 F4 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A56BCD4D50, 16 bytes long.
Data: < ôËk¥ > 00 F4 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A56BCD52A0, 16 bytes long.
Data: <ØóËk¥ > D8 F3 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A56BCD4AD0, 16 bytes long.
Data: <°óËk¥ > B0 F3 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A56BCD4A30, 16 bytes long.
Data: < óËk¥ > 88 F3 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A56BCCFA40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000002A56BCD4850, 16 bytes long.
Data: <`óËk¥ > 60 F3 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A56BCBF360, 320 bytes long.
Data: <PHÍk¥ @úÌk¥ > 50 48 CD 6B A5 02 00 00 40 FA CC 6B A5 02 00 00
{270} normal block at 0x000002A56BCD4800, 16 bytes long.
Data: <@VÍk¥ > 40 56 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A56BCD47B0, 16 bytes long.
Data: < VÍk¥ > 18 56 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A56BCD0340, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000002A56BCD4760, 16 bytes long.
Data: <ðUÍk¥ > F0 55 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A56BCCF9E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000002A56BCD4BC0, 16 bytes long.
Data: <8UÍk¥ > 38 55 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A56BCD4530, 16 bytes long.
Data: < UÍk¥ > 10 55 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A56BCD4CB0, 16 bytes long.
Data: <èTÍk¥ > E8 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A56BCD49E0, 16 bytes long.
Data: <ÀTÍk¥ > C0 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A56BCD45D0, 16 bytes long.
Data: < TÍk¥ > 98 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002A56BCD4670, 16 bytes long.
Data: <pTÍk¥ > 70 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A56BCD5340, 16 bytes long.
Data: < <Ík¥ > A0 3C CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002A56BCD3CA0, 40 bytes long.
Data: <@SÍk¥ àØùm¥ > 40 53 CD 6B A5 02 00 00 E0 D8 F9 6D A5 02 00 00
{256} normal block at 0x000002A56BCD4620, 16 bytes long.
Data: <PTÍk¥ > 50 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002A56BCD4940, 16 bytes long.
Data: <(TÍk¥ > 28 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002A56BCD00A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000002A56BCD44E0, 16 bytes long.
Data: < TÍk¥ > 00 54 CD 6B A5 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002A56BCD5400, 992 bytes long.
Data: <àDÍk¥   Ík¥ > E0 44 CD 6B A5 02 00 00 A0 00 CD 6B A5 02 00 00
{88} normal block at 0x000002A56BCCF980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000002A56BCC96C0, 16 bytes long.
Data: < ØËk¥ > 80 D8 CB 6B A5 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002A56BCBD880, 40 bytes long.
Data: <À–Ìk¥ ùÌk¥ > C0 96 CC 6B A5 02 00 00 80 F9 CC 6B A5 02 00 00
{65} normal block at 0x000002A56BCC9620, 16 bytes long.
Data: < ê6S÷ > 80 EA 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A56BCC98A0, 16 bytes long.
Data: <@é6S÷ > 40 E9 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A56BCC9760, 16 bytes long.
Data: <øW3S÷ > F8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A56BCC9DA0, 16 bytes long.
Data: <ØW3S÷ > D8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A56BCC93F0, 16 bytes long.
Data: <P 3S÷ > 50 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A56BCC9850, 16 bytes long.
Data: <0 3S÷ > 30 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A56BCC9D00, 16 bytes long.
Data: <à 3S÷ > E0 02 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A56BCC95D0, 16 bytes long.
Data: < 3S÷ > 10 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A56BCC9530, 16 bytes long.
Data: <p 3S÷ > 70 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002A56BCC9670, 16 bytes long.
Data: < À1S÷ > 18 C0 31 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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