Task 38684884
| Name | test_464-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5424_0 |
| Workunit | 31626383 |
| Created | 27 Oct 2026, 18:24:50 UTC |
| Sent | 27 Oct 2026, 18:24:54 UTC |
| Report deadline | 1 Nov 2026, 18:24:54 UTC |
| Received | 27 Oct 2026, 20:29:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 1 min 24 sec |
| CPU time | 58 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,168.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.55 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:28:53 (2564): wrapper (7.9.26016): starting
20:28:53 (2564): 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
20:28:55 (2564): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:28:55 (2564): 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\13\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\13\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
21:28:29 (2564): C:/Windows/system32/cmd.exe exited; CPU time 3521.718750
21:28:29 (2564): 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: 75706321 bytes.
Dumping objects ->
{3835893} normal block at 0x0000027475B35F20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835882} normal block at 0x0000027475B35EB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835871} normal block at 0x0000027475B35D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835860} normal block at 0x0000027475B35CF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835849} normal block at 0x0000027475B35E40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835818} normal block at 0x00000274776E8D10, 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) : {3835805} normal block at 0x0000027475B2EDA0, 8 bytes long.
Data: < êut > 00 00 EA 75 74 02 00 00
{3833957} normal block at 0x0000027475B2E620, 8 bytes long.
Data: <À µut > C0 99 B5 75 74 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027475B30550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027475B25910, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000027475B34B70, 16 bytes long.
Data: <ØV³ut > D8 56 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027475B352A0, 16 bytes long.
Data: <°V³ut > B0 56 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027475B2F0A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000027475B34A80, 16 bytes long.
Data: < V³ut > 88 56 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027475B34940, 16 bytes long.
Data: <`V³ut > 60 56 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027475B34C60, 16 bytes long.
Data: <8V³ut > 38 56 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027475B34AD0, 16 bytes long.
Data: < V³ut > 10 56 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027475B35900, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000027475B34580, 16 bytes long.
Data: < ó±ut > 18 F3 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027475B2F100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000027475B35340, 16 bytes long.
Data: <ðò±ut > F0 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027475B35070, 16 bytes long.
Data: <Èò±ut > C8 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027475B34530, 16 bytes long.
Data: < ò±ut > A0 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027475B34F80, 16 bytes long.
Data: <xò±ut > 78 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027475B34F30, 16 bytes long.
Data: <Pò±ut > 50 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027475B34A30, 16 bytes long.
Data: <(ò±ut > 28 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027475B2F880, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000027475B34B20, 16 bytes long.
Data: < ò±ut > 00 F2 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027475B1F200, 320 bytes long.
Data: < K³ut ø²ut > 20 4B B3 75 74 02 00 00 80 F8 B2 75 74 02 00 00
{274} normal block at 0x0000027475B352F0, 16 bytes long.
Data: <ðU³ut > F0 55 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027475B35200, 16 bytes long.
Data: <ÈU³ut > C8 55 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027475B2F640, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000027475B35160, 16 bytes long.
Data: < U³ut > A0 55 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027475B2FC40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000027475B34800, 16 bytes long.
Data: <èT³ut > E8 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027475B35250, 16 bytes long.
Data: <ÀT³ut > C0 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027475B34EE0, 16 bytes long.
Data: < T³ut > 98 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027475B34E90, 16 bytes long.
Data: <pT³ut > 70 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027475B344E0, 16 bytes long.
Data: <HT³ut > 48 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027475B34440, 16 bytes long.
Data: < T³ut > 20 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027475B34490, 16 bytes long.
Data: <@å±ut > 40 E5 B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027475B1E540, 40 bytes long.
Data: < D³ut nwt > 90 44 B3 75 74 02 00 00 10 8D 6E 77 74 02 00 00
{260} normal block at 0x0000027475B34C10, 16 bytes long.
Data: < T³ut > 00 54 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027475B34E40, 16 bytes long.
Data: <ØS³ut > D8 53 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027475B2F460, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000027475B351B0, 16 bytes long.
Data: <°S³ut > B0 53 B3 75 74 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027475B353B0, 992 bytes long.
Data: <°Q³ut `ô²ut > B0 51 B3 75 74 02 00 00 60 F4 B2 75 74 02 00 00
{92} normal block at 0x0000027475B2FD00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000027475B2E300, 16 bytes long.
Data: <ðܱut > F0 DC B1 75 74 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000027475B1DCF0, 40 bytes long.
Data: < ã²ut ý²ut > 00 E3 B2 75 74 02 00 00 00 FD B2 75 74 02 00 00
{69} normal block at 0x0000027475B2E530, 16 bytes long.
Data: < êûý÷ > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027475B2EF30, 16 bytes long.
Data: <@éûý÷ > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027475B2E080, 16 bytes long.
Data: <øWøý÷ > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027475B2E260, 16 bytes long.
Data: <ØWøý÷ > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027475B2E490, 16 bytes long.
Data: <P øý÷ > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027475B2E0D0, 16 bytes long.
Data: <0 øý÷ > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027475B2EB20, 16 bytes long.
Data: <à øý÷ > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027475B2E4E0, 16 bytes long.
Data: < øý÷ > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027475B2EAD0, 16 bytes long.
Data: <p øý÷ > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027475B2EBC0, 16 bytes long.
Data: < Àöý÷ > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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