Task 38700005
| Name | test_515-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2744_0 |
| Workunit | 31640344 |
| Created | 6 Nov 2026, 13:11:18 UTC |
| Sent | 6 Nov 2026, 13:11:21 UTC |
| Report deadline | 11 Nov 2026, 13:11:21 UTC |
| Received | 6 Nov 2026, 13:55:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639110 |
| Run time | 43 min 39 sec |
| CPU time | 38 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 664.08 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:13:41 (24192): wrapper (7.9.26016): starting
21:13:41 (24192): 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
21:13:42 (24192): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:13:42 (24192): 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\11\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\11\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
21:55:24 (24192): C:/Windows/system32/cmd.exe exited; CPU time 2334.093750
21:55:24 (24192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 bytes in 8 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: 52863025 bytes.
Dumping objects ->
{3835428} normal block at 0x000002D360CBE790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000002D360CBEA30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x000002D35EB96CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x000002D35EB96E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x000002D35EB96A00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x000002D360D0D030, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835342} normal block at 0x000002D35EB8BBB0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835339} normal block at 0x000002D35EB8F9A0, 8 bytes long.
Data: < ^ > 00 00 B6 5E D3 02 00 00
{3834710} normal block at 0x000002D35EB8BAA0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834069} normal block at 0x000002D35EB8EE60, 8 bytes long.
Data: < d ^ > 10 64 B9 5E D3 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002D35EB91470, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002D35EB86E40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002D35EB97BC0, 16 bytes long.
Data: < ^ > F8 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002D35EB979E0, 16 bytes long.
Data: < ^ > D0 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002D35EB90300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002D35EB97B70, 16 bytes long.
Data: < ^ > A8 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D35EB97990, 16 bytes long.
Data: < ^ > 80 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D35EB973A0, 16 bytes long.
Data: <X ^ > 58 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D35EB972B0, 16 bytes long.
Data: <0 ^ > 30 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D35EB96DF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002D35EB98020, 16 bytes long.
Data: < ^ > F8 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D35EB8FE80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002D35EB974E0, 16 bytes long.
Data: < ^ > D0 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D35EB976C0, 16 bytes long.
Data: < ^ > A8 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D35EB97F30, 16 bytes long.
Data: < ^ > 80 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D35EB97EE0, 16 bytes long.
Data: <X ^ > 58 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D35EB97DA0, 16 bytes long.
Data: <0 ^ > 30 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D35EB97FD0, 16 bytes long.
Data: < ^ > 08 B6 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D35EB8FD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002D35EB97760, 16 bytes long.
Data: < ^ > E0 B5 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D35EB7B5E0, 320 bytes long.
Data: <`w ^ ^ > 60 77 B9 5E D3 02 00 00 00 FD B8 5E D3 02 00 00
{279} normal block at 0x000002D35EB975D0, 16 bytes long.
Data: < ^ > 10 84 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D35EB97210, 16 bytes long.
Data: < ^ > E8 83 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D35EB90420, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002D35EB978A0, 16 bytes long.
Data: < ^ > C0 83 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D35EB90600, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002D35EB97E90, 16 bytes long.
Data: < ^ > 08 83 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D35EB97800, 16 bytes long.
Data: < ^ > E0 82 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D35EB98110, 16 bytes long.
Data: < ^ > B8 82 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D35EB97E40, 16 bytes long.
Data: < ^ > 90 82 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D35EB97AD0, 16 bytes long.
Data: <h ^ > 68 82 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D35EB97A80, 16 bytes long.
Data: <@ ^ > 40 82 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D35EB97D00, 16 bytes long.
Data: <Pk ^ > 50 6B B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D35EB96B50, 40 bytes long.
Data: < } ^ 0 ` > 00 7D B9 5E D3 02 00 00 30 D0 D0 60 D3 02 00 00
{265} normal block at 0x000002D35EB97490, 16 bytes long.
Data: < ^ > 20 82 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D35EB97B20, 16 bytes long.
Data: < ^ > F8 81 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D35EB8FCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002D35EB97440, 16 bytes long.
Data: < ^ > D0 81 B9 5E D3 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D35EB981D0, 992 bytes long.
Data: <@t ^ ^ > 40 74 B9 5E D3 02 00 00 A0 FC B8 5E D3 02 00 00
{97} normal block at 0x000002D35EB90060, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002D35EB8EA50, 16 bytes long.
Data: < ^ > 00 C3 B7 5E D3 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002D35EB7C300, 40 bytes long.
Data: <P ^ ` ^ > 50 EA B8 5E D3 02 00 00 60 00 B9 5E D3 02 00 00
{72} normal block at 0x000002D35EB8EC30, 16 bytes long.
Data: < L > 80 EA 4C A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D35EB8F720, 16 bytes long.
Data: <@ L > 40 E9 4C A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D35EB8ED20, 16 bytes long.
Data: < WI > F8 57 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D35EB8F8B0, 16 bytes long.
Data: < WI > D8 57 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D35EB8F860, 16 bytes long.
Data: <P I > 50 04 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D35EB8F7C0, 16 bytes long.
Data: <0 I > 30 04 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D35EB8EB40, 16 bytes long.
Data: < I > E0 02 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D35EB8F900, 16 bytes long.
Data: < I > 10 04 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D35EB8EC80, 16 bytes long.
Data: <p I > 70 04 49 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D35EB8EBE0, 16 bytes long.
Data: < G > 18 C0 47 A9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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