Task 38668114
| Name | test_227-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0494_0 |
| Workunit | 31610676 |
| Created | 25 Oct 2026, 10:42:00 UTC |
| Sent | 25 Oct 2026, 10:42:06 UTC |
| Report deadline | 30 Oct 2026, 10:42:06 UTC |
| Received | 25 Oct 2026, 11:53:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 1 hours 0 min 22 sec |
| CPU time | 1 hours 0 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.11 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:44:23 (57024): wrapper (7.9.26016): starting
13:44:23 (57024): 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
13:44:35 (57024): Library/usr/bin/tar.exe exited; CPU time 0.187500
13:44:35 (57024): 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\2\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\2\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835186} normal block at 0x0000022686B67AC0, 8 bytes long.
Data: < & > 00 00 AE 86 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000022688AE9070, 1080 bytes long.
Data: < ` t > F4 60 00 00 CD CD CD CD 74 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000022686B72B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:28:09 (58220): wrapper (7.9.26016): starting
14:28:09 (58220): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
14:51:55 (58220): C:/Windows/system32/cmd.exe exited; CPU time 1368.671875
14:51:55 (58220): 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: 29758822 bytes.
Dumping objects ->
{1614} normal block at 0x000002363348D610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000002363348D530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000002363348D4C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000002363348D990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000002363348D8B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000002363347C470, 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) : {1526} normal block at 0x0000023633493CE0, 8 bytes long.
Data: < C36 > 00 00 43 33 36 02 00 00
{311} normal block at 0x0000023633493EC0, 8 bytes long.
Data: <@RI36 > 40 52 49 33 36 02 00 00
{302} normal block at 0x000002363348ED50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000023633494190, 16 bytes long.
Data: <HQI36 > 48 51 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000236334943C0, 16 bytes long.
Data: < QI36 > 20 51 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002363348D350, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000023633493F60, 16 bytes long.
Data: < PI36 > F8 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000236334947D0, 16 bytes long.
Data: < PI36 > D0 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023633493E70, 16 bytes long.
Data: < PI36 > A8 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000236334942D0, 16 bytes long.
Data: < PI36 > 80 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002363348D7D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000023633493FB0, 16 bytes long.
Data: < G36 > B8 C7 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002363348CAB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000023633493DD0, 16 bytes long.
Data: < G36 > 90 C7 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023633494280, 16 bytes long.
Data: <h G36 > 68 C7 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023633493D80, 16 bytes long.
Data: <@ G36 > 40 C7 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023633494780, 16 bytes long.
Data: < G36 > 18 C7 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023633494230, 16 bytes long.
Data: < G36 > F0 C6 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023633493D30, 16 bytes long.
Data: < G36 > C8 C6 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002363348C7B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000023633493C90, 16 bytes long.
Data: < G36 > A0 C6 47 33 36 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002363347C6A0, 320 bytes long.
Data: < <I36 H36 > 90 3C 49 33 36 02 00 00 B0 C7 48 33 36 02 00 00
{281} normal block at 0x0000023633493BF0, 16 bytes long.
Data: <`PI36 > 60 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023633494500, 16 bytes long.
Data: <8PI36 > 38 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002363348CC30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000236334944B0, 16 bytes long.
Data: < PI36 > 10 50 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002363348CBD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000236334941E0, 16 bytes long.
Data: <XOI36 > 58 4F 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023633493B50, 16 bytes long.
Data: <0OI36 > 30 4F 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023633493C40, 16 bytes long.
Data: < OI36 > 08 4F 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023633494730, 16 bytes long.
Data: < NI36 > E0 4E 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000236334945F0, 16 bytes long.
Data: < NI36 > B8 4E 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023633494460, 16 bytes long.
Data: < NI36 > 90 4E 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023633494410, 16 bytes long.
Data: < H36 > 00 DA 48 33 36 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002363348DA00, 40 bytes long.
Data: < DI36 p G36 > 10 44 49 33 36 02 00 00 70 C4 47 33 36 02 00 00
{267} normal block at 0x0000023633493F10, 16 bytes long.
Data: <pNI36 > 70 4E 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000236334945A0, 16 bytes long.
Data: <HNI36 > 48 4E 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002363348C990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000023633494370, 16 bytes long.
Data: < NI36 > 20 4E 49 33 36 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023633494E20, 992 bytes long.
Data: <pCI36 H36 > 70 43 49 33 36 02 00 00 90 C9 48 33 36 02 00 00
{99} normal block at 0x000002363348CDB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000023633487700, 16 bytes long.
Data: <@ H36 > 40 D8 48 33 36 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002363348D840, 40 bytes long.
Data: < wH36 H36 > 00 77 48 33 36 02 00 00 B0 CD 48 33 36 02 00 00
{76} normal block at 0x00000236334879D0, 16 bytes long.
Data: < 9 > 80 EA 39 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000236334882E0, 16 bytes long.
Data: <@ 9 > 40 E9 39 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000236334884C0, 16 bytes long.
Data: < W6 > F8 57 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023633487980, 16 bytes long.
Data: < W6 > D8 57 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023633488150, 16 bytes long.
Data: <P 6 > 50 04 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023633487930, 16 bytes long.
Data: <0 6 > 30 04 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023633487C00, 16 bytes long.
Data: < 6 > E0 02 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023633488100, 16 bytes long.
Data: < 6 > 10 04 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000236334878E0, 16 bytes long.
Data: <p 6 > 70 04 36 8E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023633487890, 16 bytes long.
Data: < 4 > 18 C0 34 8E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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