Task 38665599
| Name | test_615-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3410_0 |
| Workunit | 31608683 |
| Created | 25 Oct 2026, 1:16:20 UTC |
| Sent | 25 Oct 2026, 1:28:53 UTC |
| Report deadline | 30 Oct 2026, 1:28:53 UTC |
| Received | 25 Oct 2026, 5:10:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 574909 |
| Run time | 2 hours 48 min 1 sec |
| CPU time | 2 hours 45 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 666.87 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:23:50 (18464): wrapper (7.9.26016): starting
21:23:50 (18464): 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
21:23:53 (18464): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:23:53 (18464): 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
00:10:26 (18464): C:/Windows/system32/cmd.exe exited; CPU time 9931.875000
00:10:26 (18464): 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: 161943427 bytes.
Dumping objects ->
{3835202} normal block at 0x000001D6F0B91DE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001D6F0B45350, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001D6F0B453C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001D6F0B45270, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001D6F0B450B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001D6F2794D90, 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) : {3835114} normal block at 0x000001D6F0B3D500, 8 bytes long.
Data: < °ðÖ > 00 00 B0 F0 D6 01 00 00
{3833965} normal block at 0x000001D6F0B3DBE0, 8 bytes long.
Data: < K‚òÖ > 80 4B 82 F2 D6 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D6F0B41640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D6F0B36680, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001D6F0B45F60, 16 bytes long.
Data: <¸k´ðÖ > B8 6B B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D6F0B467D0, 16 bytes long.
Data: < k´ðÖ > 90 6B B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D6F0B3F3F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001D6F0B45E20, 16 bytes long.
Data: <hk´ðÖ > 68 6B B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D6F0B459C0, 16 bytes long.
Data: <@k´ðÖ > 40 6B B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D6F0B46640, 16 bytes long.
Data: < k´ðÖ > 18 6B B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D6F0B45D30, 16 bytes long.
Data: <ðj´ðÖ > F0 6A B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D6F0B44D30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001D6F0B466E0, 16 bytes long.
Data: <øõ²ðÖ > F8 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D6F0B3FCF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001D6F0B46230, 16 bytes long.
Data: <Ðõ²ðÖ > D0 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D6F0B45FB0, 16 bytes long.
Data: <¨õ²ðÖ > A8 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D6F0B460F0, 16 bytes long.
Data: < õ²ðÖ > 80 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D6F0B45BA0, 16 bytes long.
Data: <Xõ²ðÖ > 58 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D6F0B45970, 16 bytes long.
Data: <0õ²ðÖ > 30 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D6F0B45B00, 16 bytes long.
Data: < õ²ðÖ > 08 F5 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D6F0B3FC30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001D6F0B45AB0, 16 bytes long.
Data: <àô²ðÖ > E0 F4 B2 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D6F0B2F4E0, 320 bytes long.
Data: <°Z´ðÖ 0ü³ðÖ > B0 5A B4 F0 D6 01 00 00 30 FC B3 F0 D6 01 00 00
{278} normal block at 0x000001D6F0B46690, 16 bytes long.
Data: <Ðj´ðÖ > D0 6A B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D6F0B46780, 16 bytes long.
Data: <¨j´ðÖ > A8 6A B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D6F0B3F7B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001D6F0B46730, 16 bytes long.
Data: < j´ðÖ > 80 6A B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D6F0B3FFF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001D6F0B45B50, 16 bytes long.
Data: <Èi´ðÖ > C8 69 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D6F0B46410, 16 bytes long.
Data: < i´ðÖ > A0 69 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D6F0B46140, 16 bytes long.
Data: <xi´ðÖ > 78 69 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D6F0B460A0, 16 bytes long.
Data: <Pi´ðÖ > 50 69 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D6F0B45A10, 16 bytes long.
Data: <(i´ðÖ > 28 69 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D6F0B46500, 16 bytes long.
Data: < i´ðÖ > 00 69 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D6F0B462D0, 16 bytes long.
Data: <ÐO´ðÖ > D0 4F B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D6F0B44FD0, 40 bytes long.
Data: <Ðb´ðÖ MyòÖ > D0 62 B4 F0 D6 01 00 00 90 4D 79 F2 D6 01 00 00
{264} normal block at 0x000001D6F0B46820, 16 bytes long.
Data: <àh´ðÖ > E0 68 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D6F0B46050, 16 bytes long.
Data: <¸h´ðÖ > B8 68 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D6F0B3FAB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001D6F0B46550, 16 bytes long.
Data: < h´ðÖ > 90 68 B4 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D6F0B46890, 992 bytes long.
Data: <Pe´ðÖ °ú³ðÖ > 50 65 B4 F0 D6 01 00 00 B0 FA B3 F0 D6 01 00 00
{96} normal block at 0x000001D6F0B3F0F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001D6F0B3DAA0, 16 bytes long.
Data: < í³ðÖ > 00 ED B3 F0 D6 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001D6F0B3ED00, 40 bytes long.
Data: < Ú³ðÖ ðð³ðÖ > A0 DA B3 F0 D6 01 00 00 F0 F0 B3 F0 D6 01 00 00
{73} normal block at 0x000001D6F0B3DC30, 16 bytes long.
Data: < ê ñ÷ > 80 EA 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D6F0B3D6E0, 16 bytes long.
Data: <@é ñ÷ > 40 E9 1C F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D6F0B3E040, 16 bytes long.
Data: <øW ñ÷ > F8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D6F0B3D9B0, 16 bytes long.
Data: <ØW ñ÷ > D8 57 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D6F0B3DCD0, 16 bytes long.
Data: <P ñ÷ > 50 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D6F0B3DAF0, 16 bytes long.
Data: <0 ñ÷ > 30 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D6F0B3E130, 16 bytes long.
Data: <à ñ÷ > E0 02 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D6F0B3D690, 16 bytes long.
Data: < ñ÷ > 10 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D6F0B3D960, 16 bytes long.
Data: <p ñ÷ > 70 04 19 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D6F0B3D910, 16 bytes long.
Data: < À ñ÷ > 18 C0 17 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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