Task 38679303
| Name | test_797-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3095_0 |
| Workunit | 31621082 |
| Created | 26 Oct 2026, 20:07:37 UTC |
| Sent | 26 Oct 2026, 20:07:40 UTC |
| Report deadline | 31 Oct 2026, 20:07:40 UTC |
| Received | 27 Oct 2026, 0:11:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 1 hours 7 min 18 sec |
| CPU time | 50 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.61 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:23:26 (3744): wrapper (7.9.26016): starting
06:23:26 (3744): 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
06:23:27 (3744): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:23:27 (3744): 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\16\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\16\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
07:28:44 (3744): C:/Windows/system32/cmd.exe exited; CPU time 3032.390625
07:28:44 (3744): 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: 83204903 bytes.
Dumping objects ->
{3835293} normal block at 0x00000279A655C500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835282} normal block at 0x00000279A655CC70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835271} normal block at 0x00000279A4654B50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835260} normal block at 0x00000279A46547D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835249} normal block at 0x00000279A4654BC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835218} normal block at 0x00000279A65A7780, 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) : {3835205} normal block at 0x00000279A46502B0, 8 bytes long.
Data: < a y > 00 00 61 A4 79 02 00 00
{3834057} normal block at 0x00000279A464FF40, 8 bytes long.
Data: < i_ y > D0 69 5F A6 79 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000279A4650CD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000279A463EEE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000279A46558F0, 16 bytes long.
Data: < ee y > E8 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000279A4655EE0, 16 bytes long.
Data: < ee y > C0 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000279A464EF90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000279A4655620, 16 bytes long.
Data: < ee y > 98 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000279A4655350, 16 bytes long.
Data: <pee y > 70 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000279A4655A30, 16 bytes long.
Data: <Hee y > 48 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000279A4655440, 16 bytes long.
Data: < ee y > 20 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000279A4654CA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000279A4655530, 16 bytes long.
Data: < d y > A8 E5 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000279A464EB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000279A4656110, 16 bytes long.
Data: < d y > 80 E5 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000279A4655B70, 16 bytes long.
Data: <X d y > 58 E5 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000279A4655E40, 16 bytes long.
Data: <0 d y > 30 E5 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000279A4655760, 16 bytes long.
Data: < d y > 08 E5 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000279A46558A0, 16 bytes long.
Data: < d y > E0 E4 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000279A4655490, 16 bytes long.
Data: < d y > B8 E4 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000279A464F470, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000279A4655FD0, 16 bytes long.
Data: < d y > 90 E4 64 A4 79 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000279A464E490, 320 bytes long.
Data: < _e y p d y > D0 5F 65 A4 79 02 00 00 70 F4 64 A4 79 02 00 00
{276} normal block at 0x00000279A4655F80, 16 bytes long.
Data: < ee y > 00 65 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000279A4655AD0, 16 bytes long.
Data: < de y > D8 64 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000279A464ED50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000279A4655300, 16 bytes long.
Data: < de y > B0 64 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000279A464EF30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000279A4655990, 16 bytes long.
Data: < ce y > F8 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000279A4655DA0, 16 bytes long.
Data: < ce y > D0 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000279A4655580, 16 bytes long.
Data: < ce y > A8 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000279A46557B0, 16 bytes long.
Data: < ce y > 80 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000279A4655D50, 16 bytes long.
Data: <Xce y > 58 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000279A46559E0, 16 bytes long.
Data: <0ce y > 30 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000279A4655B20, 16 bytes long.
Data: < Me y > 10 4D 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000279A4654D10, 40 bytes long.
Data: < [e y wZ y > 20 5B 65 A4 79 02 00 00 80 77 5A A6 79 02 00 00
{262} normal block at 0x00000279A4655800, 16 bytes long.
Data: < ce y > 10 63 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000279A4655E90, 16 bytes long.
Data: < be y > E8 62 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000279A464F350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000279A4655A80, 16 bytes long.
Data: < be y > C0 62 65 A4 79 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000279A46562C0, 992 bytes long.
Data: < Ze y P d y > 80 5A 65 A4 79 02 00 00 50 F3 64 A4 79 02 00 00
{94} normal block at 0x00000279A464F1D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000279A46506C0, 16 bytes long.
Data: < c y > 80 F5 63 A4 79 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000279A463F580, 40 bytes long.
Data: < e y d y > C0 06 65 A4 79 02 00 00 D0 F1 64 A4 79 02 00 00
{69} normal block at 0x00000279A4650260, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000279A464FF90, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000279A464FEA0, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000279A46503F0, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000279A464FD60, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000279A4650120, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000279A46503A0, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000279A464FA90, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000279A464FE50, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000279A464F900, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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