Task 38695668
| Name | test_50-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9193_0 |
| Workunit | 31636354 |
| Created | 31 Oct 2026, 13:40:01 UTC |
| Sent | 31 Oct 2026, 13:40:05 UTC |
| Report deadline | 5 Nov 2026, 13:40:05 UTC |
| Received | 31 Oct 2026, 17:03:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648979 |
| Run time | 1 hours 19 min 46 sec |
| CPU time | 1 hours 17 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,141.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 645.54 MB |
| Peak swap size | 6.68 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:41:11 (28248): wrapper (7.9.26016): starting
14:41:11 (28248): 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
14:41:13 (28248): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:13 (28248): 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\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: 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\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835192} normal block at 0x000001AD9C2FEEE0, 8 bytes long.
Data: < c > 00 00 63 9C AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001AD9DEF5860, 1080 bytes long.
Data: < 8 > D0 38 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001AD9C3010E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:48:36 (23804): wrapper (7.9.26016): starting
15:48:36 (23804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1539} normal block at 0x0000028FD2CA5CD0, 8 bytes long.
Data: < > 00 00 C5 D2 8F 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000028FD2CA64D0, 1080 bytes long.
Data: < I P > 94 49 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
17:01:31 (18656): wrapper (7.9.26016): starting
17:01:31 (18656): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
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
18:02:49 (18656): C:/Windows/system32/cmd.exe exited; CPU time 3613.484375
18:02:49 (18656): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 59945646 bytes.
Dumping objects ->
{1628} normal block at 0x000002534C104B30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1617} normal block at 0x000002534C104970, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1606} normal block at 0x000002534C104E40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1595} normal block at 0x000002534C104BA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1584} normal block at 0x000002534C104C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1553} normal block at 0x000002534C0EEFE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x000002534C0EEE70, 102 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) : {1539} normal block at 0x000002534C105960, 8 bytes long.
Data: < eLS > 00 00 65 4C 53 02 00 00
{912} normal block at 0x000002534C0EEF30, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000002534C105500, 8 bytes long.
Data: < g LS > A0 67 10 4C 53 02 00 00
{295} normal block at 0x000002534C0F68F0, 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 0x000002534C1057D0, 16 bytes long.
Data: < f LS > A8 66 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002534C105820, 16 bytes long.
Data: < f LS > 80 66 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002534C100700, 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 0x000002534C106220, 16 bytes long.
Data: <Xf LS > 58 66 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002534C105D20, 16 bytes long.
Data: <0f LS > 30 66 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002534C105640, 16 bytes long.
Data: < f LS > 08 66 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002534C1061D0, 16 bytes long.
Data: < e LS > E0 65 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002534C104DD0, 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 0x000002534C105780, 16 bytes long.
Data: < LS > 98 E7 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002534C0FFAA0, 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 0x000002534C106270, 16 bytes long.
Data: <p LS > 70 E7 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002534C106130, 16 bytes long.
Data: <H LS > 48 E7 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002534C1055F0, 16 bytes long.
Data: < LS > 20 E7 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002534C1060E0, 16 bytes long.
Data: < LS > F8 E6 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002534C105910, 16 bytes long.
Data: < LS > D0 E6 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002534C1053C0, 16 bytes long.
Data: < LS > A8 E6 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002534C0FF860, 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 0x000002534C105690, 16 bytes long.
Data: < LS > 80 E6 0F 4C 53 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002534C0FE680, 320 bytes long.
Data: < V LS ` LS > 90 56 10 4C 53 02 00 00 60 F8 0F 4C 53 02 00 00
{274} normal block at 0x000002534C106180, 16 bytes long.
Data: < e LS > C0 65 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002534C1055A0, 16 bytes long.
Data: < e LS > 98 65 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002534C100160, 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 0x000002534C105410, 16 bytes long.
Data: <pe LS > 70 65 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002534C100520, 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 0x000002534C1062C0, 16 bytes long.
Data: < d LS > B8 64 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002534C1056E0, 16 bytes long.
Data: < d LS > 90 64 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002534C1059B0, 16 bytes long.
Data: <hd LS > 68 64 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002534C105E10, 16 bytes long.
Data: <@d LS > 40 64 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002534C105730, 16 bytes long.
Data: < d LS > 18 64 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002534C1058C0, 16 bytes long.
Data: < c LS > F0 63 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002534C105B90, 16 bytes long.
Data: < G LS > B0 47 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002534C1047B0, 40 bytes long.
Data: < [ LS LS > 90 5B 10 4C 53 02 00 00 E0 EF 0E 4C 53 02 00 00
{260} normal block at 0x000002534C105BE0, 16 bytes long.
Data: < c LS > D0 63 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002534C1054B0, 16 bytes long.
Data: < c LS > A8 63 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002534C0FFFE0, 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 0x000002534C105870, 16 bytes long.
Data: < c LS > 80 63 10 4C 53 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002534C106380, 992 bytes long.
Data: <pX LS LS > 70 58 10 4C 53 02 00 00 E0 FF 0F 4C 53 02 00 00
{92} normal block at 0x000002534C1004C0, 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 0x000002534C0FED50, 16 bytes long.
Data: <@ LS > 40 D4 0E 4C 53 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002534C0ED440, 40 bytes long.
Data: <P LS LS > 50 ED 0F 4C 53 02 00 00 C0 04 10 4C 53 02 00 00
{69} normal block at 0x000002534C0FF340, 16 bytes long.
Data: < U > 80 EA D4 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002534C0FF250, 16 bytes long.
Data: <@ U > 40 E9 D4 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002534C0FF430, 16 bytes long.
Data: < W U > F8 57 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002534C0FEF80, 16 bytes long.
Data: < W U > D8 57 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002534C0FF520, 16 bytes long.
Data: <P U > 50 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002534C0FEF30, 16 bytes long.
Data: <0 U > 30 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002534C0FF5C0, 16 bytes long.
Data: < U > E0 02 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002534C0FEAD0, 16 bytes long.
Data: < U > 10 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002534C0FF4D0, 16 bytes long.
Data: <p U > 70 04 D1 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002534C0FEEE0, 16 bytes long.
Data: < U > 18 C0 CF 55 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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