Task 38650434
| Name | test_11-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND2187_0 |
| Workunit | 31594939 |
| Created | 23 Oct 2026, 23:26:14 UTC |
| Sent | 23 Oct 2026, 23:45:19 UTC |
| Report deadline | 28 Oct 2026, 23:45:19 UTC |
| Received | 27 Oct 2026, 15:02:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654837 |
| Run time | 45 min 22 sec |
| CPU time | 45 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 420.84 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:04:47 (39504): wrapper (7.9.26016): starting
09:04:47 (39504): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
09:04:52 (27332): wrapper (7.9.26016): starting
09:04:52 (27332): 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
09:04:55 (27332): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:04:55 (27332): 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\18\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\18\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
09:59:52 (27332): C:/Windows/system32/cmd.exe exited; CPU time 2722.875000
09:59:52 (27332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 69643707 bytes.
Dumping objects ->
{1865} normal block at 0x0000025CC11E44F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1854} normal block at 0x0000025CC11E4480, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1843} normal block at 0x0000025CC11E4B80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1832} normal block at 0x0000025CC11E4A30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1821} normal block at 0x0000025CC11E4B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1790} normal block at 0x0000025CC11CE5A0, 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) : {1777} normal block at 0x0000025CC11E5980, 8 bytes long.
Data: < i \ > 00 00 69 C1 5C 02 00 00
{303} normal block at 0x0000025CC11E5C50, 8 bytes long.
Data: < f \ > 20 66 1E C1 5C 02 00 00
{295} normal block at 0x0000025CC11D5E90, 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 0x0000025CC11E5BB0, 16 bytes long.
Data: < U \ > 18 55 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025CC11E5A70, 16 bytes long.
Data: < T \ > F0 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025CC11DF8B0, 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 0x0000025CC11E64C0, 16 bytes long.
Data: < T \ > C8 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025CC11E6420, 16 bytes long.
Data: < T \ > A0 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025CC11E5930, 16 bytes long.
Data: <xT \ > 78 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025CC11E58E0, 16 bytes long.
Data: <PT \ > 50 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025CC11E4560, 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 0x0000025CC11E5FC0, 16 bytes long.
Data: < \ > C8 8E 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025CC11DFDF0, 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 0x0000025CC11E63D0, 16 bytes long.
Data: < \ > A0 8E 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025CC11E5F70, 16 bytes long.
Data: <x \ > 78 8E 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025CC11E5D40, 16 bytes long.
Data: <P \ > 50 8E 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025CC11E5E80, 16 bytes long.
Data: <( \ > 28 8E 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025CC11E5C00, 16 bytes long.
Data: < \ > 00 8E 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025CC11E5890, 16 bytes long.
Data: < \ > D8 8D 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025CC11DFC10, 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 0x0000025CC11E57F0, 16 bytes long.
Data: < \ > B0 8D 1D C1 5C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025CC11D8DB0, 320 bytes long.
Data: < W \ \ > F0 57 1E C1 5C 02 00 00 10 FC 1D C1 5C 02 00 00
{274} normal block at 0x0000025CC11E6380, 16 bytes long.
Data: <0T \ > 30 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025CC11E6060, 16 bytes long.
Data: < T \ > 08 54 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025CC11DF7F0, 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 0x0000025CC11E5840, 16 bytes long.
Data: < S \ > E0 53 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025CC11E03F0, 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 0x0000025CC11E6010, 16 bytes long.
Data: <(S \ > 28 53 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025CC11E6470, 16 bytes long.
Data: < S \ > 00 53 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025CC11E5B60, 16 bytes long.
Data: < R \ > D8 52 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025CC11E6330, 16 bytes long.
Data: < R \ > B0 52 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025CC11E57A0, 16 bytes long.
Data: < R \ > 88 52 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025CC11DEC70, 16 bytes long.
Data: <`R \ > 60 52 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025CC11DE540, 16 bytes long.
Data: <@F \ > 40 46 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025CC11E4640, 40 bytes long.
Data: <@ \ \ > 40 E5 1D C1 5C 02 00 00 A0 E5 1C C1 5C 02 00 00
{260} normal block at 0x0000025CC11DF440, 16 bytes long.
Data: <@R \ > 40 52 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025CC11DF0D0, 16 bytes long.
Data: < R \ > 18 52 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025CC11E00F0, 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 0x0000025CC11DEFE0, 16 bytes long.
Data: < Q \ > F0 51 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000025CC11E51F0, 992 bytes long.
Data: < \ \ > E0 EF 1D C1 5C 02 00 00 F0 00 1E C1 5C 02 00 00
{92} normal block at 0x0000025CC11DF550, 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 0x0000025CC11DF3F0, 16 bytes long.
Data: < G \ > 90 47 1E C1 5C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000025CC11E4790, 40 bytes long.
Data: < \ P \ > F0 F3 1D C1 5C 02 00 00 50 F5 1D C1 5C 02 00 00
{69} normal block at 0x0000025CC11DED60, 16 bytes long.
Data: < C > 80 EA 43 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025CC11DE810, 16 bytes long.
Data: <@ C > 40 E9 43 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025CC11DF3A0, 16 bytes long.
Data: < W@ > F8 57 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025CC11DE590, 16 bytes long.
Data: < W@ > D8 57 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025CC11DE7C0, 16 bytes long.
Data: <P @ > 50 04 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025CC11DECC0, 16 bytes long.
Data: <0 @ > 30 04 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025CC11DEF90, 16 bytes long.
Data: < @ > E0 02 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025CC11DF080, 16 bytes long.
Data: < @ > 10 04 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025CC11DE770, 16 bytes long.
Data: <p @ > 70 04 40 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025CC11DE680, 16 bytes long.
Data: < > > 18 C0 3E DE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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