Task 38689101
| Name | test_27-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4389_0 |
| Workunit | 31630377 |
| Created | 28 Oct 2026, 18:19:59 UTC |
| Sent | 28 Oct 2026, 18:20:02 UTC |
| Report deadline | 2 Nov 2026, 18:20:02 UTC |
| Received | 28 Oct 2026, 20:26:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 58 min 2 sec |
| CPU time | 56 min 49 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 | 684.33 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>
21:22:14 (55240): wrapper (7.9.26016): starting
21:22:14 (55240): 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
21:25:17 (90964): wrapper (7.9.26016): starting
21:25:17 (90964): 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
21:25:19 (90964): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:25:19 (90964): 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) : {1525} normal block at 0x000001FB9BE54DF0, 8 bytes long.
Data: < > 00 00 DF 9B FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001FB9BE54510, 1080 bytes long.
Data: <d, H > 64 2C 01 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
22:00:59 (90028): wrapper (7.9.26016): starting
22:00:59 (90028): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x00000246975E3B60, 8 bytes long.
Data: < F > 00 00 02 99 46 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000246975E34B0, 1080 bytes long.
Data: < H > 18 09 01 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
22:06:46 (88304): wrapper (7.9.26016): starting
22:06:46 (88304): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x00000201E1345DA0, 8 bytes long.
Data: < ' > 00 00 27 E1 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000201E13450B0, 1080 bytes long.
Data: <\i H > 5C 69 01 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
22:35:32 (69616): wrapper (7.9.26016): starting
22:35:32 (69616): 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
23:25:30 (69616): C:/Windows/system32/cmd.exe exited; CPU time 2956.390625
23:25:30 (69616): 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: 19960 bytes.
Total allocations: 98168486 bytes.
Dumping objects ->
{1614} normal block at 0x00000243DFACD310, 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 0x00000243DFACD8C0, 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 0x00000243DFACD850, 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 0x00000243DFACD930, 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 0x00000243DFACD7E0, 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 0x00000243DFABC320, 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 0x00000243DFAD3AE0, 8 bytes long.
Data: < C > 00 00 A8 DF 43 02 00 00
{311} normal block at 0x00000243DFAD43F0, 8 bytes long.
Data: < M C > C0 4D AD DF 43 02 00 00
{302} normal block at 0x00000243DFABD530, 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 0x00000243DFAD37C0, 16 bytes long.
Data: < L C > C8 4C AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000243DFAD3F90, 16 bytes long.
Data: < L C > A0 4C AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000243DFACD060, 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 0x00000243DFAD3D60, 16 bytes long.
Data: <xL C > 78 4C AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000243DFAD3C70, 16 bytes long.
Data: <PL C > 50 4C AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000243DFAD3770, 16 bytes long.
Data: <(L C > 28 4C AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000243DFAD3860, 16 bytes long.
Data: < L C > 00 4C AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000243DFACD380, 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 0x00000243DFAD3E50, 16 bytes long.
Data: <( C > 28 C7 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000243DFACCD00, 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 0x00000243DFAD3C20, 16 bytes long.
Data: < C > 00 C7 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000243DFAD4170, 16 bytes long.
Data: < C > D8 C6 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000243DFAD3950, 16 bytes long.
Data: < C > B0 C6 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000243DFAD36D0, 16 bytes long.
Data: < C > 88 C6 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000243DFAD3E00, 16 bytes long.
Data: <` C > 60 C6 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000243DFAD44E0, 16 bytes long.
Data: <8 C > 38 C6 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000243DFACC880, 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 0x00000243DFAD43A0, 16 bytes long.
Data: < C > 10 C6 AB DF 43 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000243DFABC610, 320 bytes long.
Data: < C C C > A0 43 AD DF 43 02 00 00 80 C8 AC DF 43 02 00 00
{281} normal block at 0x00000243DFAD4440, 16 bytes long.
Data: < K C > E0 4B AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000243DFAD3D10, 16 bytes long.
Data: < K C > B8 4B AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000243DFACC940, 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 0x00000243DFAD39A0, 16 bytes long.
Data: < K C > 90 4B AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000243DFACC460, 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 0x00000243DFAD3A90, 16 bytes long.
Data: < J C > D8 4A AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000243DFAD3F40, 16 bytes long.
Data: < J C > B0 4A AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000243DFAD4120, 16 bytes long.
Data: < J C > 88 4A AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000243DFAD3EF0, 16 bytes long.
Data: <`J C > 60 4A AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000243DFAD4490, 16 bytes long.
Data: <8J C > 38 4A AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000243DFAD4080, 16 bytes long.
Data: < J C > 10 4A AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000243DFAD4350, 16 bytes long.
Data: < C > 90 D6 AC DF 43 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000243DFACD690, 40 bytes long.
Data: <PC C C > 50 43 AD DF 43 02 00 00 20 C3 AB DF 43 02 00 00
{267} normal block at 0x00000243DFAD3680, 16 bytes long.
Data: < I C > F0 49 AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000243DFAD3CC0, 16 bytes long.
Data: < I C > C8 49 AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000243DFACC640, 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 0x00000243DFAD3630, 16 bytes long.
Data: < I C > A0 49 AD DF 43 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000243DFAD49A0, 992 bytes long.
Data: <06 C @ C > 30 36 AD DF 43 02 00 00 40 C6 AC DF 43 02 00 00
{99} normal block at 0x00000243DFACD000, 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 0x00000243DFAC7530, 16 bytes long.
Data: <` C > 60 D4 AC DF 43 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000243DFACD460, 40 bytes long.
Data: <0u C C > 30 75 AC DF 43 02 00 00 00 D0 AC DF 43 02 00 00
{76} normal block at 0x00000243DFAC7CB0, 16 bytes long.
Data: < @ > 80 EA CF 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000243DFAC7AD0, 16 bytes long.
Data: <@ @ > 40 E9 CF 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000243DFAC7B20, 16 bytes long.
Data: < W @ > F8 57 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000243DFAC7DF0, 16 bytes long.
Data: < W @ > D8 57 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000243DFAC7670, 16 bytes long.
Data: <P @ > 50 04 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000243DFAC74E0, 16 bytes long.
Data: <0 @ > 30 04 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000243DFAC8110, 16 bytes long.
Data: < @ > E0 02 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000243DFAC7D50, 16 bytes long.
Data: < @ > 10 04 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000243DFAC83E0, 16 bytes long.
Data: <p @ > 70 04 CC 40 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000243DFAC7620, 16 bytes long.
Data: < @ > 18 C0 CA 40 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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