Task 38684952
| Name | test_392-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2706_0 |
| Workunit | 31626450 |
| Created | 27 Oct 2026, 18:45:03 UTC |
| Sent | 27 Oct 2026, 18:45:06 UTC |
| Report deadline | 1 Nov 2026, 18:45:06 UTC |
| Received | 27 Oct 2026, 20:05:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654625 |
| Run time | 24 min 36 sec |
| CPU time | 24 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,553.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.53 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:02 (17632): wrapper (7.9.26016): starting
18:53:02 (17632): 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
18:53:03 (17632): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:03 (17632): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x00000226198002D0, 8 bytes long.
Data: < & > 00 00 DC 19 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000002261982A5B0, 1080 bytes long.
Data: < n P > D8 6E 00 00 CD CD CD CD 50 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022619802960, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:39:20 (3556): wrapper (7.9.26016): starting
19:39:20 (3556): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\Applications\BOINC\slots\1\tmp already exists.
WARNING: The script pyaml.exe is installed in 'D:\Applications\BOINC\slots\1\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 'D:\Applications\BOINC\slots\1\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
20:03:54 (3556): C:/Windows/system32/cmd.exe exited; CPU time 1470.640625
20:03:54 (3556): 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: 27739353 bytes.
Dumping objects ->
{1925} normal block at 0x0000020E3F7659E0, 48 bytes long.
Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{1914} normal block at 0x0000020E3F765B30, 48 bytes long.
Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{1903} normal block at 0x0000020E3F765A50, 48 bytes long.
Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69
{1892} normal block at 0x0000020E3F765AC0, 48 bytes long.
Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74
{1881} normal block at 0x0000020E3F765890, 48 bytes long.
Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63
{1850} normal block at 0x0000020E3F74F780, 64 bytes long.
Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74
..\api\boinc_api.cpp(309) : {1837} normal block at 0x0000020E3F766990, 8 bytes long.
Data: < o? > 00 00 6F 3F 0E 02 00 00
{307} normal block at 0x0000020E3F7671B0, 8 bytes long.
Data: <0wv? > 30 77 76 3F 0E 02 00 00
{298} normal block at 0x0000020E3F757570, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000020E3F766580, 16 bytes long.
Data: <8vv? > 38 76 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020E3F766CB0, 16 bytes long.
Data: < vv? > 10 76 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020E3F75EBB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000020E3F7669E0, 16 bytes long.
Data: < uv? > E8 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020E3F766710, 16 bytes long.
Data: < uv? > C0 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020E3F766C10, 16 bytes long.
Data: < uv? > 98 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020E3F766D00, 16 bytes long.
Data: <puv? > 70 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020E3F765970, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000020E3F766530, 16 bytes long.
Data: <X t? > 58 ED 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020E3F75E730, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000020E3F766940, 16 bytes long.
Data: <0 t? > 30 ED 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020E3F766670, 16 bytes long.
Data: < t? > 08 ED 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020E3F766EE0, 16 bytes long.
Data: < t? > E0 EC 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020E3F7664E0, 16 bytes long.
Data: < t? > B8 EC 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020E3F766DF0, 16 bytes long.
Data: < t? > 90 EC 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020E3F766F30, 16 bytes long.
Data: <h t? > 68 EC 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020E3F75EC70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000020E3F7668A0, 16 bytes long.
Data: <@ t? > 40 EC 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020E3F74EC40, 320 bytes long.
Data: < hv? p u? > A0 68 76 3F 0E 02 00 00 70 EC 75 3F 0E 02 00 00
{277} normal block at 0x0000020E3F7665D0, 16 bytes long.
Data: <Puv? > 50 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020E3F766D50, 16 bytes long.
Data: <(uv? > 28 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020E3F75E850, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000020E3F766AD0, 16 bytes long.
Data: < uv? > 00 75 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020E3F75E670, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000020E3F767020, 16 bytes long.
Data: <Htv? > 48 74 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020E3F767160, 16 bytes long.
Data: < tv? > 20 74 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020E3F766BC0, 16 bytes long.
Data: < sv? > F8 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020E3F766FD0, 16 bytes long.
Data: < sv? > D0 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020E3F766E40, 16 bytes long.
Data: < sv? > A8 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020E3F766490, 16 bytes long.
Data: < sv? > 80 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020E3F767110, 16 bytes long.
Data: <@Wv? > 40 57 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020E3F765740, 40 bytes long.
Data: < qv? t? > 10 71 76 3F 0E 02 00 00 80 F7 74 3F 0E 02 00 00
{263} normal block at 0x0000020E3F766B20, 16 bytes long.
Data: <`sv? > 60 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020E3F766A30, 16 bytes long.
Data: <8sv? > 38 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020E3F75EB50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000020E3F7668F0, 16 bytes long.
Data: < sv? > 10 73 76 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020E3F767310, 992 bytes long.
Data: < hv? P u? > F0 68 76 3F 0E 02 00 00 50 EB 75 3F 0E 02 00 00
{95} normal block at 0x0000020E3F75E3D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000020E3F760F50, 16 bytes long.
Data: <@ t? > 40 FB 74 3F 0E 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000020E3F74FB40, 40 bytes long.
Data: <P v? u? > 50 0F 76 3F 0E 02 00 00 D0 E3 75 3F 0E 02 00 00
{72} normal block at 0x0000020E3F760C30, 16 bytes long.
Data: < E > 80 EA 09 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020E3F760AF0, 16 bytes long.
Data: <@ E > 40 E9 09 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020E3F7605A0, 16 bytes long.
Data: < W E > F8 57 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020E3F7602D0, 16 bytes long.
Data: < W E > D8 57 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020E3F760AA0, 16 bytes long.
Data: <P E > 50 04 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020E3F760730, 16 bytes long.
Data: <0 E > 30 04 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020E3F7607D0, 16 bytes long.
Data: < E > E0 02 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020E3F7604B0, 16 bytes long.
Data: < E > 10 04 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020E3F760D20, 16 bytes long.
Data: <p E > 70 04 06 45 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020E3F760F00, 16 bytes long.
Data: < E > 18 C0 04 45 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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