Task 38647835
| Name | test_712-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND3263_0 |
| Workunit | 31592558 |
| Created | 23 Oct 2026, 20:22:22 UTC |
| Sent | 23 Oct 2026, 20:55:11 UTC |
| Report deadline | 28 Oct 2026, 20:55:11 UTC |
| Received | 24 Oct 2026, 9:31:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654383 |
| Run time | 3 hours 14 min 37 sec |
| CPU time | 1 hours 47 min 34 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 | 632.04 MB |
| Peak swap size | 5.32 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:57:42 (41640): wrapper (7.9.26016): starting
16:57:42 (41640): 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
16:57:44 (41640): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:57:44 (41640): 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 0x000001CE0FB3E460, 8 bytes long.
Data: < > 00 00 F8 0F CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833980} normal block at 0x000001CE117E48A0, 1080 bytes long.
Data: <X > 58 17 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x000001CE0FB41AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:10:22 (36548): wrapper (7.9.26016): starting
01:10:22 (36548): 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 0x0000017DEA5D6EE0, 8 bytes long.
Data: < } > 00 00 97 EA 7D 01 00 00
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x0000017DEA5D5B60, 1080 bytes long.
Data: < D > 84 91 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
01:23:46 (29992): wrapper (7.9.26016): starting
01:23:46 (29992): 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
05:26:40 (29992): C:/Windows/system32/cmd.exe exited; CPU time 5564.515625
05:26:46 (29992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 36316727 bytes.
Dumping objects ->
{2399} normal block at 0x00000258A37505B0, 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 0x00000258A37500E0, 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 0x00000258A3750540, 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 0x00000258A3750460, 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 0x00000258A3750070, 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 0x00000258A373FC30, 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 0x00000258A3756210, 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 0x00000258A3756DF0, 8 bytes long.
Data: < X > 00 00 AF A3 58 02 00 00
{1277} normal block at 0x00000258A37562F0, 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 0x00000258A3756940, 8 bytes long.
Data: < xu X > 20 78 75 A3 58 02 00 00
{307} normal block at 0x00000258A3746DF0, 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 0x00000258A3756580, 16 bytes long.
Data: <(wu X > 28 77 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000258A3756B20, 16 bytes long.
Data: < wu X > 00 77 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000258A3750B10, 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 0x00000258A37570C0, 16 bytes long.
Data: < vu X > D8 76 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000258A3756DA0, 16 bytes long.
Data: < vu X > B0 76 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000258A37568F0, 16 bytes long.
Data: < vu X > 88 76 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000258A3756E40, 16 bytes long.
Data: <`vu X > 60 76 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000258A37504D0, 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 0x00000258A3756F30, 16 bytes long.
Data: < au X > A8 61 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000258A3751650, 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 0x00000258A37566C0, 16 bytes long.
Data: < au X > 80 61 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000258A3757340, 16 bytes long.
Data: <Xau X > 58 61 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000258A3756D50, 16 bytes long.
Data: <0au X > 30 61 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000258A37569E0, 16 bytes long.
Data: < au X > 08 61 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000258A3756EE0, 16 bytes long.
Data: < `u X > E0 60 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000258A37564E0, 16 bytes long.
Data: < `u X > B8 60 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000258A3750AB0, 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 0x00000258A3757020, 16 bytes long.
Data: < `u X > 90 60 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000258A3756090, 320 bytes long.
Data: < pu X u X > 20 70 75 A3 58 02 00 00 B0 0A 75 A3 58 02 00 00
{286} normal block at 0x00000258A37568A0, 16 bytes long.
Data: <@vu X > 40 76 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000258A3756D00, 16 bytes long.
Data: < vu X > 18 76 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000258A3750C30, 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 0x00000258A3756850, 16 bytes long.
Data: < uu X > F0 75 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000258A37516B0, 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 0x00000258A37572A0, 16 bytes long.
Data: <8uu X > 38 75 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000258A3757390, 16 bytes long.
Data: < uu X > 10 75 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000258A3756620, 16 bytes long.
Data: < tu X > E8 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000258A3756800, 16 bytes long.
Data: < tu X > C0 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000258A3756AD0, 16 bytes long.
Data: < tu X > 98 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000258A37567B0, 16 bytes long.
Data: <ptu X > 70 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000258A3756490, 16 bytes long.
Data: < u X > 00 07 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000258A3750700, 40 bytes long.
Data: < du X 0 s X > 90 64 75 A3 58 02 00 00 30 FC 73 A3 58 02 00 00
{272} normal block at 0x00000258A3756CB0, 16 bytes long.
Data: <Ptu X > 50 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000258A37572F0, 16 bytes long.
Data: <(tu X > 28 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000258A3751470, 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 0x00000258A3756670, 16 bytes long.
Data: < tu X > 00 74 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000258A3757400, 992 bytes long.
Data: <pfu X p u X > 70 66 75 A3 58 02 00 00 70 14 75 A3 58 02 00 00
{104} normal block at 0x00000258A3751410, 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 0x00000258A374E3D0, 16 bytes long.
Data: < u X > 80 03 75 A3 58 02 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x00000258A3750380, 40 bytes long.
Data: < t X u X > D0 E3 74 A3 58 02 00 00 10 14 75 A3 58 02 00 00
{81} normal block at 0x00000258A374E5B0, 16 bytes long.
Data: < l > 80 EA 6C 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000258A374E290, 16 bytes long.
Data: <@ l > 40 E9 6C 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x00000258A374E8D0, 16 bytes long.
Data: < Wi > F8 57 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000258A374DED0, 16 bytes long.
Data: < Wi > D8 57 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000258A374DC50, 16 bytes long.
Data: <P i > 50 04 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000258A374E1A0, 16 bytes long.
Data: <0 i > 30 04 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000258A374E510, 16 bytes long.
Data: < i > E0 02 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000258A374DD40, 16 bytes long.
Data: < i > 10 04 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000258A374E560, 16 bytes long.
Data: <p i > 70 04 69 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000258A374DE80, 16 bytes long.
Data: < g > 18 C0 67 08 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra