Task 38676572
| Name | test_857-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND5272_0 |
| Workunit | 31618476 |
| Created | 26 Oct 2026, 11:43:04 UTC |
| Sent | 26 Oct 2026, 11:43:09 UTC |
| Report deadline | 31 Oct 2026, 11:43:09 UTC |
| Received | 26 Oct 2026, 12:45:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 55 min 40 sec |
| CPU time | 52 min 58 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 | 699.70 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>
14:45:11 (43284): wrapper (7.9.26016): starting
14:45:11 (43284): 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
14:45:13 (43284): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:45:13 (43284): 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 0x000002C856E57D40, 8 bytes long.
Data: < V > 00 00 E0 56 C8 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000002C858CF9330, 1080 bytes long.
Data: < P > 80 AE 00 00 CD CD CD CD 50 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002C856E62AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:58:24 (39908): wrapper (7.9.26016): starting
14:58:24 (39908): 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
15:45:01 (39908): C:/Windows/system32/cmd.exe exited; CPU time 2760.406250
15:45:01 (39908): 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: 70527738 bytes.
Dumping objects ->
{1614} normal block at 0x00000120AED5E3C0, 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 0x00000120AED5E190, 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 0x00000120AED5E660, 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 0x00000120AED5E350, 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 0x00000120AED5E2E0, 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 0x00000120AED4C6A0, 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 0x00000120AED64F10, 8 bytes long.
Data: < > 00 00 D1 AE 20 01 00 00
{311} normal block at 0x00000120AED650A0, 8 bytes long.
Data: < D > A0 44 D6 AE 20 01 00 00
{302} normal block at 0x00000120AED4BBB0, 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 0x00000120AED65320, 16 bytes long.
Data: < ] > E8 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000120AED652D0, 16 bytes long.
Data: < ] > C0 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000120AED5DBF0, 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 0x00000120AED65280, 16 bytes long.
Data: < ] > 98 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000120AED65550, 16 bytes long.
Data: <p] > 70 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000120AED655F0, 16 bytes long.
Data: <H] > 48 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000120AED65190, 16 bytes long.
Data: < ] > 20 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000120AED5E270, 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 0x00000120AED657D0, 16 bytes long.
Data: < > A8 D6 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000120AED5D830, 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 0x00000120AED65640, 16 bytes long.
Data: < > 80 D6 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000120AED65050, 16 bytes long.
Data: <X > 58 D6 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000120AED653C0, 16 bytes long.
Data: <0 > 30 D6 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000120AED65410, 16 bytes long.
Data: < > 08 D6 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000120AED65960, 16 bytes long.
Data: < > E0 D5 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000120AED659B0, 16 bytes long.
Data: < > B8 D5 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000120AED5D950, 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 0x00000120AED64BA0, 16 bytes long.
Data: < > 90 D5 D4 AE 20 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000120AED4D590, 320 bytes long.
Data: < K P > A0 4B D6 AE 20 01 00 00 50 D9 D5 AE 20 01 00 00
{281} normal block at 0x00000120AED65A00, 16 bytes long.
Data: < ] > 00 5D D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000120AED65230, 16 bytes long.
Data: < \ > D8 5C D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000120AED5DB90, 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 0x00000120AED64FB0, 16 bytes long.
Data: < \ > B0 5C D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000120AED5D2F0, 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 0x00000120AED64E20, 16 bytes long.
Data: < [ > F8 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000120AED65910, 16 bytes long.
Data: < [ > D0 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000120AED650F0, 16 bytes long.
Data: < [ > A8 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000120AED65730, 16 bytes long.
Data: < [ > 80 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000120AED64EC0, 16 bytes long.
Data: <X[ > 58 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000120AED658C0, 16 bytes long.
Data: <0[ > 30 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000120AED64B50, 16 bytes long.
Data: < > 20 E1 D5 AE 20 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000120AED5E120, 40 bytes long.
Data: <PK > 50 4B D6 AE 20 01 00 00 A0 C6 D4 AE 20 01 00 00
{267} normal block at 0x00000120AED64B00, 16 bytes long.
Data: < [ > 10 5B D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000120AED64DD0, 16 bytes long.
Data: < Z > E8 5A D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000120AED5D410, 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 0x00000120AED64F60, 16 bytes long.
Data: < Z > C0 5A D6 AE 20 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000120AED65AC0, 992 bytes long.
Data: <`O > 60 4F D6 AE 20 01 00 00 10 D4 D5 AE 20 01 00 00
{99} normal block at 0x00000120AED5D7D0, 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 0x00000120AED58E10, 16 bytes long.
Data: < > F0 E5 D5 AE 20 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000120AED5E5F0, 40 bytes long.
Data: < > 10 8E D5 AE 20 01 00 00 D0 D7 D5 AE 20 01 00 00
{76} normal block at 0x00000120AED587D0, 16 bytes long.
Data: < > 80 EA E1 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000120AED58D70, 16 bytes long.
Data: <@ > 40 E9 E1 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000120AED58500, 16 bytes long.
Data: < W > F8 57 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000120AED586E0, 16 bytes long.
Data: < W > D8 57 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000120AED58690, 16 bytes long.
Data: <P > 50 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000120AED588C0, 16 bytes long.
Data: <0 > 30 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000120AED59220, 16 bytes long.
Data: < > E0 02 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000120AED584B0, 16 bytes long.
Data: < > 10 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000120AED59360, 16 bytes long.
Data: <p > 70 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000120AED592C0, 16 bytes long.
Data: < > 18 C0 DC A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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