Task 38671883
| Name | test_399-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4608_0 |
| Workunit | 31614065 |
| Created | 25 Oct 2026, 21:51:13 UTC |
| Sent | 25 Oct 2026, 21:51:16 UTC |
| Report deadline | 30 Oct 2026, 21:51:16 UTC |
| Received | 26 Oct 2026, 0:17:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654147 |
| Run time | 33 min 10 sec |
| CPU time | 30 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.69 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.48 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:36:08 (7084): wrapper (7.9.26016): starting
00:36:08 (7084): 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
00:36:10 (7084): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:36:10 (7084): 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\4\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\4\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) : {3835109} normal block at 0x000001EC9710F840, 8 bytes long.
Data: < > 00 00 0B 97 EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001EC98DE6420, 1080 bytes long.
Data: <t< H > 74 3C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EC9710EB00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:59:56 (11632): wrapper (7.9.26016): starting
00:59:56 (11632): 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\4\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
01:14:18 (11632): C:/Windows/system32/cmd.exe exited; CPU time 823.015625
01:14:18 (11632): 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: 14123264 bytes.
Dumping objects ->
{1543} normal block at 0x00000217FC4A4940, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1532} normal block at 0x00000217FC4A46A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x00000217FC4A4A20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1510} normal block at 0x00000217FC4A48D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1499} normal block at 0x00000217FC4A4BE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1468} normal block at 0x00000217FC48F300, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1455} normal block at 0x00000217FC4A56E0, 8 bytes long.
Data: < A > 00 00 41 FC 17 02 00 00
{305} normal block at 0x00000217FC4A5690, 8 bytes long.
Data: < dJ > D0 64 4A FC 17 02 00 00
{296} normal block at 0x00000217FC4968D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000217FC4A5640, 16 bytes long.
Data: < cJ > D8 63 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000217FC4A55F0, 16 bytes long.
Data: < cJ > B0 63 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000217FC4A0660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000217FC4A54B0, 16 bytes long.
Data: < cJ > 88 63 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000217FC4A5B90, 16 bytes long.
Data: <`cJ > 60 63 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000217FC4A55A0, 16 bytes long.
Data: <8cJ > 38 63 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000217FC4A5550, 16 bytes long.
Data: < cJ > 10 63 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000217FC4A4860, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000217FC4A53C0, 16 bytes long.
Data: < I > 88 8D 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000217FC4A1380, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000217FC4A52D0, 16 bytes long.
Data: <` I > 60 8D 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000217FC4A5870, 16 bytes long.
Data: <8 I > 38 8D 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000217FC4A5A00, 16 bytes long.
Data: < I > 10 8D 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000217FC4A5910, 16 bytes long.
Data: < I > E8 8C 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000217FC4A5460, 16 bytes long.
Data: < I > C0 8C 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000217FC4A5410, 16 bytes long.
Data: < I > 98 8C 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000217FC4A06C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000217FC4A5280, 16 bytes long.
Data: <p I > 70 8C 49 FC 17 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000217FC498C70, 320 bytes long.
Data: < RJ J > 80 52 4A FC 17 02 00 00 C0 06 4A FC 17 02 00 00
{275} normal block at 0x00000217FC4A5DC0, 16 bytes long.
Data: < bJ > F0 62 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000217FC4A59B0, 16 bytes long.
Data: < bJ > C8 62 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000217FC4A0900, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000217FC4A5960, 16 bytes long.
Data: < bJ > A0 62 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000217FC4A0EA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000217FC4A5C80, 16 bytes long.
Data: < aJ > E8 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000217FC4A5D70, 16 bytes long.
Data: < aJ > C0 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000217FC4A5230, 16 bytes long.
Data: < aJ > 98 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000217FC4A5500, 16 bytes long.
Data: <paJ > 70 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000217FC4A5320, 16 bytes long.
Data: <HaJ > 48 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000217FC4A51E0, 16 bytes long.
Data: < aJ > 20 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000217FC4A5EB0, 16 bytes long.
Data: < GJ > 80 47 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000217FC4A4780, 40 bytes long.
Data: < ^J H > B0 5E 4A FC 17 02 00 00 00 F3 48 FC 17 02 00 00
{261} normal block at 0x00000217FC4A50F0, 16 bytes long.
Data: < aJ > 00 61 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000217FC4A5370, 16 bytes long.
Data: < `J > D8 60 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000217FC4A1200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000217FC4A5190, 16 bytes long.
Data: < `J > B0 60 4A FC 17 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000217FC4A60B0, 992 bytes long.
Data: < QJ J > 90 51 4A FC 17 02 00 00 00 12 4A FC 17 02 00 00
{93} normal block at 0x00000217FC4A0AE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000217FC49FD90, 16 bytes long.
Data: < H > E0 E4 48 FC 17 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000217FC48E4E0, 40 bytes long.
Data: < I J > 90 FD 49 FC 17 02 00 00 E0 0A 4A FC 17 02 00 00
{70} normal block at 0x00000217FC49FF20, 16 bytes long.
Data: < b > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000217FC49FAC0, 16 bytes long.
Data: <@ b > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000217FC49FA70, 16 bytes long.
Data: < W b > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000217FC49F9D0, 16 bytes long.
Data: < W b > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000217FC4A0380, 16 bytes long.
Data: <P b > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000217FC49F980, 16 bytes long.
Data: <0 b > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000217FC49F750, 16 bytes long.
Data: < b > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000217FC49F700, 16 bytes long.
Data: < b > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000217FC4A0060, 16 bytes long.
Data: <p b > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000217FC49FE30, 16 bytes long.
Data: < b > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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