Task 38677943
| Name | test_830-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2178_0 |
| Workunit | 31619792 |
| Created | 26 Oct 2026, 15:54:42 UTC |
| Sent | 26 Oct 2026, 15:54:45 UTC |
| Report deadline | 31 Oct 2026, 15:54:45 UTC |
| Received | 26 Oct 2026, 20:04:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629688 |
| Run time | 49 min 47 sec |
| CPU time | 48 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,115.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.62 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:36:51 (7660): wrapper (7.9.26016): starting
17:36:51 (7660): 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
17:36:52 (7660): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:36:52 (7660): 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\9\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\9\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.
20:22:02 (6588): wrapper (7.9.26016): starting
20:22:02 (6588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
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
20:50:21 (6588): C:/Windows/system32/cmd.exe exited; CPU time 1671.656250
20:50:21 (6588): 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: 25102348 bytes.
Dumping objects ->
{1866} normal block at 0x000002654A712F20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1855} normal block at 0x000002654A712C80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1844} normal block at 0x000002654A7129E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1833} normal block at 0x000002654A712B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1822} normal block at 0x000002654A712C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1791} normal block at 0x000002654A70A8B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1780} normal block at 0x000002654A6FE4F0, 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) : {1777} normal block at 0x000002654A719430, 8 bytes long.
Data: < lJe > 00 00 6C 4A 65 02 00 00
{1031} normal block at 0x000002654A704830, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x000002654A718FD0, 8 bytes long.
Data: < qJe > B0 9E 71 4A 65 02 00 00
{297} normal block at 0x000002654A7057F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002654A719390, 16 bytes long.
Data: < qJe > B8 9D 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002654A719200, 16 bytes long.
Data: < qJe > 90 9D 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002654A714650, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002654A7197A0, 16 bytes long.
Data: <h qJe > 68 9D 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002654A719250, 16 bytes long.
Data: <@ qJe > 40 9D 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002654A719980, 16 bytes long.
Data: < qJe > 18 9D 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002654A719A20, 16 bytes long.
Data: < qJe > F0 9C 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002654A712AC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002654A719660, 16 bytes long.
Data: <hEpJe > 68 45 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002654A7145F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002654A719340, 16 bytes long.
Data: <@EpJe > 40 45 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002654A718DF0, 16 bytes long.
Data: < EpJe > 18 45 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002654A7192F0, 16 bytes long.
Data: < DpJe > F0 44 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002654A7191B0, 16 bytes long.
Data: < DpJe > C8 44 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002654A7198E0, 16 bytes long.
Data: < DpJe > A0 44 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002654A719570, 16 bytes long.
Data: <xDpJe > 78 44 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002654A714890, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002654A719160, 16 bytes long.
Data: <PDpJe > 50 44 70 4A 65 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002654A704450, 320 bytes long.
Data: <` qJe HqJe > 60 91 71 4A 65 02 00 00 90 48 71 4A 65 02 00 00
{276} normal block at 0x000002654A7194D0, 16 bytes long.
Data: < qJe > D0 9C 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002654A719110, 16 bytes long.
Data: < qJe > A8 9C 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002654A714110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002654A7190C0, 16 bytes long.
Data: < qJe > 80 9C 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002654A714590, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002654A719070, 16 bytes long.
Data: < qJe > C8 9B 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002654A719480, 16 bytes long.
Data: < qJe > A0 9B 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002654A718F30, 16 bytes long.
Data: <x qJe > 78 9B 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002654A719520, 16 bytes long.
Data: <P qJe > 50 9B 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002654A7193E0, 16 bytes long.
Data: <( qJe > 28 9B 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002654A7199D0, 16 bytes long.
Data: < qJe > 00 9B 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002654A718AD0, 16 bytes long.
Data: <P*qJe > 50 2A 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002654A712A50, 40 bytes long.
Data: < qJe pJe > D0 8A 71 4A 65 02 00 00 B0 A8 70 4A 65 02 00 00
{262} normal block at 0x000002654A719020, 16 bytes long.
Data: < qJe > E0 9A 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002654A718BC0, 16 bytes long.
Data: < qJe > B8 9A 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002654A714290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002654A718D50, 16 bytes long.
Data: < qJe > 90 9A 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002654A719A90, 992 bytes long.
Data: <P qJe BqJe > 50 8D 71 4A 65 02 00 00 90 42 71 4A 65 02 00 00
{94} normal block at 0x000002654A714BF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002654A711A10, 16 bytes long.
Data: < -qJe > D0 2D 71 4A 65 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002654A712DD0, 40 bytes long.
Data: < qJe KqJe > 10 1A 71 4A 65 02 00 00 F0 4B 71 4A 65 02 00 00
{71} normal block at 0x000002654A711560, 16 bytes long.
Data: < > > 80 EA 3E F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002654A711740, 16 bytes long.
Data: <@ > > 40 E9 3E F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002654A7115B0, 16 bytes long.
Data: < W; > F8 57 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002654A7114C0, 16 bytes long.
Data: < W; > D8 57 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002654A7111F0, 16 bytes long.
Data: <P ; > 50 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002654A7111A0, 16 bytes long.
Data: <0 ; > 30 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002654A710CA0, 16 bytes long.
Data: < ; > E0 02 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002654A711150, 16 bytes long.
Data: < ; > 10 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002654A710F70, 16 bytes long.
Data: <p ; > 70 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002654A7119C0, 16 bytes long.
Data: < 9 > 18 C0 39 F6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra