Task 38650289
| Name | test_433-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND4727_0 |
| Workunit | 31594802 |
| Created | 23 Oct 2026, 23:10:06 UTC |
| Sent | 23 Oct 2026, 23:29:17 UTC |
| Report deadline | 28 Oct 2026, 23:29:17 UTC |
| Received | 24 Oct 2026, 12:56:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637827 |
| Run time | 42 min 39 sec |
| CPU time | 42 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.95 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:39:04 (18212): wrapper (7.9.26016): starting
02:39:04 (18212): 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
02:39:05 (18212): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:39:05 (18212): 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 'D:\BOINC_Projects\slots\0\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x000001C489966F80, 8 bytes long.
Data: < 4 > 00 00 34 8B C4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001C48B6069A0, 1080 bytes long.
Data: < & > AC 26 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C489971C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:10:43 (18736): wrapper (7.9.26016): starting
15:10:43 (18736): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Projects\slots\0\tmp already exists.
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 'D:\BOINC_Projects\slots\0\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
15:53:58 (18736): C:/Windows/system32/cmd.exe exited; CPU time 2530.546875
15:53:58 (18736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 46869517 bytes.
Dumping objects ->
{1590} normal block at 0x00000250222CDC10, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{1579} normal block at 0x00000250222CBEE0, 32 bytes long.
Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{1568} normal block at 0x00000250222CC420, 32 bytes long.
Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F
{1557} normal block at 0x00000250222CC5A0, 32 bytes long.
Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{1546} normal block at 0x00000250222CE150, 48 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{1515} normal block at 0x00000250222CDD60, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
..\api\boinc_api.cpp(309) : {1502} normal block at 0x00000250222D3580, 8 bytes long.
Data: < &"P > 00 00 26 22 50 02 00 00
{302} normal block at 0x00000250222D3530, 8 bytes long.
Data: <pB-"P > 70 42 2D 22 50 02 00 00
{293} normal block at 0x00000250222BB110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000250222D34E0, 16 bytes long.
Data: <xA-"P > 78 41 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000250222D3490, 16 bytes long.
Data: <PA-"P > 50 41 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000250222CBA00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000250222D3440, 16 bytes long.
Data: <(A-"P > 28 41 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000250222D2AE0, 16 bytes long.
Data: < A-"P > 00 41 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000250222D35D0, 16 bytes long.
Data: < @-"P > D8 40 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000250222D33F0, 16 bytes long.
Data: < @-"P > B0 40 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000250222CE070, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000250222D39E0, 16 bytes long.
Data: < b+"P > 18 62 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000250222CC900, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000250222D33A0, 16 bytes long.
Data: < a+"P > F0 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000250222D3350, 16 bytes long.
Data: < a+"P > C8 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000250222D37B0, 16 bytes long.
Data: < a+"P > A0 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000250222D3710, 16 bytes long.
Data: <xa+"P > 78 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000250222D3300, 16 bytes long.
Data: <Pa+"P > 50 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000250222D3800, 16 bytes long.
Data: <(a+"P > 28 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000250222CBD60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000250222D3760, 16 bytes long.
Data: < a+"P > 00 61 2B 22 50 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000250222B6100, 320 bytes long.
Data: <`7-"P ` ,"P > 60 37 2D 22 50 02 00 00 60 BD 2C 22 50 02 00 00
{272} normal block at 0x00000250222D3940, 16 bytes long.
Data: < @-"P > 90 40 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000250222D3260, 16 bytes long.
Data: <h@-"P > 68 40 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000250222CBB20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000250222D2A90, 16 bytes long.
Data: <@@-"P > 40 40 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000250222CBA60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000250222D3120, 16 bytes long.
Data: < ?-"P > 88 3F 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000250222D3990, 16 bytes long.
Data: <`?-"P > 60 3F 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000250222D2CC0, 16 bytes long.
Data: <8?-"P > 38 3F 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000250222D32B0, 16 bytes long.
Data: < ?-"P > 10 3F 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000250222D3030, 16 bytes long.
Data: < >-"P > E8 3E 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000250222D2C70, 16 bytes long.
Data: < >-"P > C0 3E 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000250222D2E50, 16 bytes long.
Data: < ,"P > A0 DB 2C 22 50 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000250222CDBA0, 40 bytes long.
Data: <P.-"P ` ,"P > 50 2E 2D 22 50 02 00 00 60 DD 2C 22 50 02 00 00
{258} normal block at 0x00000250222D3210, 16 bytes long.
Data: < >-"P > A0 3E 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000250222D38A0, 16 bytes long.
Data: <x>-"P > 78 3E 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000250222CC720, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000250222D3170, 16 bytes long.
Data: <P>-"P > 50 3E 2D 22 50 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000250222D3E50, 992 bytes long.
Data: <p1-"P ,"P > 70 31 2D 22 50 02 00 00 20 C7 2C 22 50 02 00 00
{90} normal block at 0x00000250222CC8A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000250222C72D0, 16 bytes long.
Data: < ,"P > 90 DF 2C 22 50 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000250222CDF90, 40 bytes long.
Data: < r,"P ,"P > D0 72 2C 22 50 02 00 00 A0 C8 2C 22 50 02 00 00
{67} normal block at 0x00000250222C7140, 16 bytes long.
Data: < e > 80 EA 95 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000250222C7050, 16 bytes long.
Data: <@ e > 40 E9 95 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000250222C7BE0, 16 bytes long.
Data: < W e > F8 57 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000250222C77D0, 16 bytes long.
Data: < W e > D8 57 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000250222C7500, 16 bytes long.
Data: <P e > 50 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000250222C7A00, 16 bytes long.
Data: <0 e > 30 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000250222C79B0, 16 bytes long.
Data: < e > E0 02 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000250222C78C0, 16 bytes long.
Data: < e > 10 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000250222C7690, 16 bytes long.
Data: <p e > 70 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000250222C6F60, 16 bytes long.
Data: < e > 18 C0 90 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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