Task 38657163
| Name | test_434-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND4715_0 |
| Workunit | 31600833 |
| Created | 24 Oct 2026, 11:23:23 UTC |
| Sent | 24 Oct 2026, 11:33:23 UTC |
| Report deadline | 29 Oct 2026, 11:33:23 UTC |
| Received | 24 Oct 2026, 20:12:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654383 |
| Run time | 4 hours 45 min 43 sec |
| CPU time | 2 hours 32 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,147.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.51 MB |
| Peak swap size | 5.33 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:37:15 (41244): wrapper (7.9.26016): starting
07:37:21 (41244): 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
07:38:33 (41244): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:38:36 (41244): 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\12\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\12\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) : {3835974} normal block at 0x000001F57584DEC0, 8 bytes long.
Data: < u > 00 00 C4 75 F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833980} normal block at 0x000001F5775348A0, 1080 bytes long.
Data: < ~ > 8C 7E 00 00 CD CD CD CD A8 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x000001F575851870, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:45:07 (29160): wrapper (7.9.26016): starting
10:45:07 (29160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J  existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {2309} normal block at 0x00000185C06671D0, 8 bytes long.
Data: < > 00 00 BE C0 85 01 00 00
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x00000185C0666060, 1080 bytes long.
Data: < P > 90 7F 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:48:38 (36748): wrapper (7.9.26016): starting
13:48:38 (36748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
J  existe uma subpasta ou um arquivo C:\ProgramData\BOINC\slots\12\tmp.
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
14:57:32 (36748): C:/Windows/system32/cmd.exe exited; CPU time 2006.718750
14:57:32 (36748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 10778259 bytes.
Dumping objects ->
{2399} normal block at 0x000001E037BE1440, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2388} normal block at 0x000001E037BE1670, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2377} normal block at 0x000001E037BE13D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{2366} normal block at 0x000001E037BE1360, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2355} normal block at 0x000001E037BE1050, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{2324} normal block at 0x000001E037BE0D50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2313} normal block at 0x000001E037BCF6C0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {2309} normal block at 0x000001E037BE7B10, 8 bytes long.
Data: < 8 > 00 00 0E 38 E0 01 00 00
{1277} normal block at 0x000001E037BD0780, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{316} normal block at 0x000001E037BE8150, 8 bytes long.
Data: < 7 > D0 86 BE 37 E0 01 00 00
{307} normal block at 0x000001E037BD82F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{306} normal block at 0x000001E037BE8240, 16 bytes long.
Data: < 7 > D8 85 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001E037BE7520, 16 bytes long.
Data: < 7 > B0 85 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001E037BE2340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{303} normal block at 0x000001E037BE73E0, 16 bytes long.
Data: < 7 > 88 85 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001E037BE7660, 16 bytes long.
Data: <` 7 > 60 85 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001E037BE7CA0, 16 bytes long.
Data: <8 7 > 38 85 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E037BE7D40, 16 bytes long.
Data: < 7 > 10 85 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E037BE1600, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{298} normal block at 0x000001E037BE8060, 16 bytes long.
Data: < 7 > E8 0C BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E037BE2700, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{296} normal block at 0x000001E037BE7A70, 16 bytes long.
Data: < 7 > C0 0C BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E037BE8010, 16 bytes long.
Data: < 7 > 98 0C BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E037BE7840, 16 bytes long.
Data: <p 7 > 70 0C BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E037BE7930, 16 bytes long.
Data: <H 7 > 48 0C BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E037BE8100, 16 bytes long.
Data: < 7 > 20 0C BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E037BE7FC0, 16 bytes long.
Data: < 7 > F8 0B BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E037BE22E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{288} normal block at 0x000001E037BE7CF0, 16 bytes long.
Data: < 7 > D0 0B BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E037BE0BD0, 320 bytes long.
Data: < | 7 " 7 > F0 7C BE 37 E0 01 00 00 E0 22 BE 37 E0 01 00 00
{286} normal block at 0x000001E037BE81F0, 16 bytes long.
Data: < 7 > F0 84 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E037BE7AC0, 16 bytes long.
Data: < 7 > C8 84 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E037BE1980, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{283} normal block at 0x000001E037BE7C50, 16 bytes long.
Data: < 7 > A0 84 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E037BE1920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{281} normal block at 0x000001E037BE7F70, 16 bytes long.
Data: < 7 > E8 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E037BE7BB0, 16 bytes long.
Data: < 7 > C0 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E037BE78E0, 16 bytes long.
Data: < 7 > 98 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E037BE7390, 16 bytes long.
Data: <p 7 > 70 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E037BE7340, 16 bytes long.
Data: <H 7 > 48 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E037BE72F0, 16 bytes long.
Data: < 7 > 20 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E037BE77A0, 16 bytes long.
Data: < 7 > 80 12 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E037BE1280, 40 bytes long.
Data: < w 7 P 7 > A0 77 BE 37 E0 01 00 00 50 0D BE 37 E0 01 00 00
{272} normal block at 0x000001E037BE7DE0, 16 bytes long.
Data: < 7 > 00 83 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E037BE74D0, 16 bytes long.
Data: < 7 > D8 82 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E037BE1BC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{269} normal block at 0x000001E037BE77F0, 16 bytes long.
Data: < 7 > B0 82 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E037BE82B0, 992 bytes long.
Data: < w 7 7 > F0 77 BE 37 E0 01 00 00 C0 1B BE 37 E0 01 00 00
{104} normal block at 0x000001E037BE1FE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{103} normal block at 0x000001E037BDEAE0, 16 bytes long.
Data: < 7 > 10 12 BE 37 E0 01 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x000001E037BE1210, 40 bytes long.
Data: < 7 7 > E0 EA BD 37 E0 01 00 00 E0 1F BE 37 E0 01 00 00
{81} normal block at 0x000001E037BDF030, 16 bytes long.
Data: < > 80 EA 1B 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001E037BDEC20, 16 bytes long.
Data: <@ > 40 E9 1B 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001E037BDF210, 16 bytes long.
Data: < W > F8 57 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001E037BDF8F0, 16 bytes long.
Data: < W > D8 57 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001E037BDE9A0, 16 bytes long.
Data: <P > 50 04 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001E037BDF120, 16 bytes long.
Data: <0 > 30 04 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001E037BDF490, 16 bytes long.
Data: < > E0 02 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001E037BDF0D0, 16 bytes long.
Data: < > 10 04 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E037BDF7B0, 16 bytes long.
Data: <p > 70 04 18 07 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E037BDF1C0, 16 bytes long.
Data: < > 18 C0 16 07 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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