Task 38672708
| Name | test_727-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND1308_0 |
| Workunit | 31614831 |
| Created | 26 Oct 2026, 0:13:30 UTC |
| Sent | 26 Oct 2026, 0:13:32 UTC |
| Report deadline | 31 Oct 2026, 0:13:32 UTC |
| Received | 26 Oct 2026, 12:08:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653402 |
| Run time | 36 min 43 sec |
| CPU time | 32 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 677.68 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:27:48 (16732): wrapper (7.9.26016): starting
07:27:48 (16732): 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
07:27:50 (16732): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:27:50 (16732): 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\DATA\slots\21\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:\BOINC\DATA\slots\21\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) : {3835104} normal block at 0x000001A0837B0CC0, 8 bytes long.
Data: < > 00 00 C8 83 A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001A0855AE1D0, 1080 bytes long.
Data: < } , > DC 7D 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A0837A6AB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:34:06 (12296): wrapper (7.9.26016): starting
07:34:06 (12296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\DATA\slots\21\tmp already exists.
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
08:07:29 (12296): C:/Windows/system32/cmd.exe exited; CPU time 1859.265625
08:07:29 (12296): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 38585164 bytes.
Dumping objects ->
{1539} normal block at 0x000001E601224BE0, 48 bytes long.
Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
{1528} normal block at 0x000001E601220290, 32 bytes long.
Data: <HOME=D:\BOINC\DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
{1517} normal block at 0x000001E60121FF30, 32 bytes long.
Data: <TMP=D:\BOINC\DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41 54
{1506} normal block at 0x000001E60121FB10, 32 bytes long.
Data: <TEMP=D:\BOINC\DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
{1495} normal block at 0x000001E601220890, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1464} normal block at 0x000001E601224A90, 48 bytes long.
Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
..\api\boinc_api.cpp(309) : {1451} normal block at 0x000001E601226530, 8 bytes long.
Data: < > 00 00 1C 01 E6 01 00 00
{304} normal block at 0x000001E601226A80, 8 bytes long.
Data: <0l" > 30 6C 22 01 E6 01 00 00
{295} normal block at 0x000001E6012171C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001E601225EF0, 16 bytes long.
Data: <([" > 28 5B 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E601226B70, 16 bytes long.
Data: < [" > 00 5B 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E601220710, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001E601226490, 16 bytes long.
Data: < Z" > D8 5A 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E601225E50, 16 bytes long.
Data: < Z" > B0 5A 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E601225EA0, 16 bytes long.
Data: < Z" > 88 5A 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E601226A30, 16 bytes long.
Data: <`Z" > 60 5A 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E601224860, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001E601226990, 16 bytes long.
Data: <8U" > 38 55 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E601220050, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001E6012268F0, 16 bytes long.
Data: < U" > 10 55 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E6012266C0, 16 bytes long.
Data: < T" > E8 54 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E601226760, 16 bytes long.
Data: < T" > C0 54 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E601225D60, 16 bytes long.
Data: < T" > 98 54 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E6012261C0, 16 bytes long.
Data: <pT" > 70 54 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E601226800, 16 bytes long.
Data: <HT" > 48 54 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E60121FC90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001E601226B20, 16 bytes long.
Data: < T" > 20 54 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E601225420, 320 bytes long.
Data: < k" ! > 20 6B 22 01 E6 01 00 00 90 FC 21 01 E6 01 00 00
{274} normal block at 0x000001E6012269E0, 16 bytes long.
Data: <@Z" > 40 5A 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E6012262B0, 16 bytes long.
Data: < Z" > 18 5A 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E60121FDB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001E601225D10, 16 bytes long.
Data: < Y" > F0 59 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E60121FE10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001E601225E00, 16 bytes long.
Data: <8Y" > 38 59 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E601226940, 16 bytes long.
Data: < Y" > 10 59 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E601226AD0, 16 bytes long.
Data: < X" > E8 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E601226850, 16 bytes long.
Data: < X" > C0 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E6012213A0, 16 bytes long.
Data: < X" > 98 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E6012212B0, 16 bytes long.
Data: <pX" > 70 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E601220EA0, 16 bytes long.
Data: < N" > 10 4E 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E601224E10, 40 bytes long.
Data: < " J" > A0 0E 22 01 E6 01 00 00 90 4A 22 01 E6 01 00 00
{260} normal block at 0x000001E601220E00, 16 bytes long.
Data: <PX" > 50 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E601220DB0, 16 bytes long.
Data: <(X" > 28 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E601220830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001E601220D10, 16 bytes long.
Data: < X" > 00 58 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E601225800, 992 bytes long.
Data: < " 0 " > 10 0D 22 01 E6 01 00 00 30 08 22 01 E6 01 00 00
{92} normal block at 0x000001E6012206B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001E6012218A0, 16 bytes long.
Data: <pK" > 70 4B 22 01 E6 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E601224B70, 40 bytes long.
Data: < " " > A0 18 22 01 E6 01 00 00 B0 06 22 01 E6 01 00 00
{69} normal block at 0x000001E6012209A0, 16 bytes long.
Data: < > 80 EA F3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E6012216C0, 16 bytes long.
Data: <@ > 40 E9 F3 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E601221030, 16 bytes long.
Data: < W > F8 57 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E601221620, 16 bytes long.
Data: < W > D8 57 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E601221080, 16 bytes long.
Data: <P > 50 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E6012213F0, 16 bytes long.
Data: <0 > 30 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E601221490, 16 bytes long.
Data: < > E0 02 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E601220A90, 16 bytes long.
Data: < > 10 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E601220EF0, 16 bytes long.
Data: <p > 70 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E601221530, 16 bytes long.
Data: < > 18 C0 EE EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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