Task 38684973
| Name | test_944-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6254_0 |
| Workunit | 31626471 |
| Created | 27 Oct 2026, 18:49:59 UTC |
| Sent | 27 Oct 2026, 18:50:01 UTC |
| Report deadline | 1 Nov 2026, 18:50:01 UTC |
| Received | 27 Oct 2026, 19:38:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613320 |
| Run time | 23 min 19 sec |
| CPU time | 22 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 50,491.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.99 MB |
| Peak swap size | 10.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:13:09 (11260): wrapper (7.9.26016): starting
20:13:09 (11260): 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
20:13:10 (11260): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:13:10 (11260): 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.
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
20:35:27 (11260): C:/Windows/system32/cmd.exe exited; CPU time 1344.671875
20:35:27 (11260): 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: 20960273 bytes.
Dumping objects ->
{3835498} normal block at 0x000002AE14856A20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835487} normal block at 0x000002AE148565C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835476} normal block at 0x000002AE14856470, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835465} normal block at 0x000002AE148567F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835454} normal block at 0x000002AE148569B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835423} normal block at 0x000002AE166B8CB0, 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) : {3835410} normal block at 0x000002AE1484DDD0, 8 bytes long.
Data: < ~ ® > 00 00 7E 14 AE 02 00 00
{3833963} normal block at 0x000002AE1484DCE0, 8 bytes long.
Data: < Jt ® > 00 4A 74 16 AE 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002AE14850F10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002AE14846400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002AE14855530, 16 bytes long.
Data: <(c… ® > 28 63 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002AE148558F0, 16 bytes long.
Data: < c… ® > 00 63 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002AE1484F280, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002AE14855710, 16 bytes long.
Data: <Øb… ® > D8 62 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AE148553F0, 16 bytes long.
Data: <°b… ® > B0 62 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AE14854E00, 16 bytes long.
Data: < b… ® > 88 62 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002AE14855850, 16 bytes long.
Data: <`b… ® > 60 62 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002AE14856860, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002AE14854F40, 16 bytes long.
Data: <è·ƒ ® > E8 B7 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002AE1484F460, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002AE14855350, 16 bytes long.
Data: <À·ƒ ® > C0 B7 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002AE14854EA0, 16 bytes long.
Data: < ·ƒ ® > 98 B7 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AE14855800, 16 bytes long.
Data: <p·ƒ ® > 70 B7 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AE14854E50, 16 bytes long.
Data: <H·ƒ ® > 48 B7 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AE14854D60, 16 bytes long.
Data: < ·ƒ ® > 20 B7 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AE14855030, 16 bytes long.
Data: <ø¶ƒ ® > F8 B6 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AE1484F1C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002AE14854D10, 16 bytes long.
Data: <жƒ ® > D0 B6 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AE1483B6D0, 320 bytes long.
Data: < M… ® Àñ„ ® > 10 4D 85 14 AE 02 00 00 C0 F1 84 14 AE 02 00 00
{277} normal block at 0x000002AE14855260, 16 bytes long.
Data: <@b… ® > 40 62 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AE14854A90, 16 bytes long.
Data: < b… ® > 18 62 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002AE1484F9A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002AE14855300, 16 bytes long.
Data: <ða… ® > F0 61 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AE1484F3A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002AE148553A0, 16 bytes long.
Data: <8a… ® > 38 61 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AE14854C70, 16 bytes long.
Data: < a… ® > 10 61 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002AE14854CC0, 16 bytes long.
Data: <è`… ® > E8 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AE14855440, 16 bytes long.
Data: <À`… ® > C0 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002AE14854B80, 16 bytes long.
Data: < `… ® > 98 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AE14854C20, 16 bytes long.
Data: <p`… ® > 70 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AE14854DB0, 16 bytes long.
Data: <ÀɃ ® > C0 C9 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002AE1483C9C0, 40 bytes long.
Data: <°M… ® °Œk ® > B0 4D 85 14 AE 02 00 00 B0 8C 6B 16 AE 02 00 00
{263} normal block at 0x000002AE148557B0, 16 bytes long.
Data: <P`… ® > 50 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AE14855760, 16 bytes long.
Data: <(`… ® > 28 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002AE1484EF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002AE14854B30, 16 bytes long.
Data: < `… ® > 00 60 85 14 AE 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002AE14856000, 992 bytes long.
Data: <0K… ® ï„ ® > 30 4B 85 14 AE 02 00 00 20 EF 84 14 AE 02 00 00
{95} normal block at 0x000002AE1484EEC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002AE1484D510, 16 bytes long.
Data: <àÚƒ ® > E0 DA 83 14 AE 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002AE1483DAE0, 40 bytes long.
Data: < Õ„ ® Àî„ ® > 10 D5 84 14 AE 02 00 00 C0 EE 84 14 AE 02 00 00
{72} normal block at 0x000002AE1484DEC0, 16 bytes long.
Data: < ê ±ö > 80 EA 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002AE1484DAB0, 16 bytes long.
Data: <@é ±ö > 40 E9 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002AE1484E0A0, 16 bytes long.
Data: <øW~±ö > F8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AE1484E1E0, 16 bytes long.
Data: <ØW~±ö > D8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AE1484D420, 16 bytes long.
Data: <P ~±ö > 50 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AE1484D790, 16 bytes long.
Data: <0 ~±ö > 30 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AE1484D3D0, 16 bytes long.
Data: <à ~±ö > E0 02 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AE1484D380, 16 bytes long.
Data: < ~±ö > 10 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AE1484DE20, 16 bytes long.
Data: <p ~±ö > 70 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AE1484DF60, 16 bytes long.
Data: < À|±ö > 18 C0 7C B1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra