Task 38661985
| Name | test_957-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND2331_0 |
| Workunit | 31605351 |
| Created | 24 Oct 2026, 16:38:34 UTC |
| Sent | 24 Oct 2026, 16:43:07 UTC |
| Report deadline | 29 Oct 2026, 16:43:07 UTC |
| Received | 24 Oct 2026, 21:10:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 27 min 45 sec |
| CPU time | 25 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.71 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:14:45 (27424): wrapper (7.9.26016): starting
02:14:45 (27424): 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
02:14:46 (27424): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:14:46 (27424): 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\13\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\13\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
02:41:31 (27424): C:/Windows/system32/cmd.exe exited; CPU time 1530.515625
02:41:31 (27424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 28009531 bytes.
Dumping objects ->
{3835523} normal block at 0x000001F8E5F1CC70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835512} normal block at 0x000001F8E5F1C730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x000001F8E5F1C7A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835490} normal block at 0x000001F8E5F1CAB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x000001F8E3F049A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835448} normal block at 0x000001F8E5F64880, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835437} normal block at 0x000001F8E5FC2A50, 180 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) : {3835434} normal block at 0x000001F8E3EFEFF0, 8 bytes long.
Data: < Q > 00 00 51 E4 F8 01 00 00
{3834732} normal block at 0x000001F8E5FC2E10, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834057} normal block at 0x000001F8E3EFEFA0, 8 bytes long.
Data: <°A > B0 41 FC E5 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F8E3F01510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F8E3EF6690, 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 0x000001F8E3F058A0, 16 bytes long.
Data: <hh > 68 68 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F8E3F06110, 16 bytes long.
Data: <@h > 40 68 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F8E3EFF860, 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 0x000001F8E3F05CB0, 16 bytes long.
Data: < h > 18 68 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F8E3F05D00, 16 bytes long.
Data: < g > F0 67 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F8E3F05C60, 16 bytes long.
Data: <Èg > C8 67 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F8E3F05800, 16 bytes long.
Data: < g > A0 67 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F8E3F04B60, 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 0x000001F8E3F056C0, 16 bytes long.
Data: <xµ > 78 B5 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F8E3F00160, 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 0x000001F8E3F05BC0, 16 bytes long.
Data: <Pµ > 50 B5 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F8E3F06390, 16 bytes long.
Data: <(µ > 28 B5 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F8E3F062A0, 16 bytes long.
Data: < µ > 00 B5 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F8E3F06250, 16 bytes long.
Data: <Ø´ > D8 B4 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F8E3F05B70, 16 bytes long.
Data: <°´ > B0 B4 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F8E3F05D50, 16 bytes long.
Data: < ´ > 88 B4 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F8E3EFFFE0, 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 0x000001F8E3F059E0, 16 bytes long.
Data: <`´ > 60 B4 EE E3 F8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F8E3EEB460, 320 bytes long.
Data: < Y > E0 59 F0 E3 F8 01 00 00 E0 FF EF E3 F8 01 00 00
{276} normal block at 0x000001F8E3F05760, 16 bytes long.
Data: < g > 80 67 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F8E3F05990, 16 bytes long.
Data: <Xg > 58 67 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F8E3F00640, 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 0x000001F8E3F05B20, 16 bytes long.
Data: <0g > 30 67 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F8E3EFFCE0, 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 0x000001F8E3F05710, 16 bytes long.
Data: <xf > 78 66 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F8E3F05AD0, 16 bytes long.
Data: <Pf > 50 66 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F8E3F060C0, 16 bytes long.
Data: <(f > 28 66 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F8E3F06070, 16 bytes long.
Data: < f > 00 66 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F8E3F05FD0, 16 bytes long.
Data: <Øe > D8 65 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F8E3F05A80, 16 bytes long.
Data: <°e > B0 65 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F8E3F06160, 16 bytes long.
Data: <@L > 40 4C F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F8E3F04C40, 40 bytes long.
Data: <`a H > 60 61 F0 E3 F8 01 00 00 80 48 F6 E5 F8 01 00 00
{262} normal block at 0x000001F8E3F06430, 16 bytes long.
Data: < e > 90 65 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F8E3F05940, 16 bytes long.
Data: <he > 68 65 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F8E3F00280, 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 0x000001F8E3F06200, 16 bytes long.
Data: <@e > 40 65 F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F8E3F06540, 992 bytes long.
Data: < b > 00 62 F0 E3 F8 01 00 00 80 02 F0 E3 F8 01 00 00
{94} normal block at 0x000001F8E3F003A0, 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 0x000001F8E3EFF130, 16 bytes long.
Data: < M > 20 4D F0 E3 F8 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F8E3F04D20, 40 bytes long.
Data: <0 > 30 F1 EF E3 F8 01 00 00 A0 03 F0 E3 F8 01 00 00
{69} normal block at 0x000001F8E3EFEEB0, 16 bytes long.
Data: < ¦ > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F8E3EFF270, 16 bytes long.
Data: <@ ¦ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F8E3EFEB90, 16 bytes long.
Data: < W ¦ > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F8E3EFF310, 16 bytes long.
Data: <ØW ¦ > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F8E3EFEE60, 16 bytes long.
Data: <P ¦ > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F8E3EFE820, 16 bytes long.
Data: <0 ¦ > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F8E3EFEE10, 16 bytes long.
Data: < ¦ > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F8E3EFF180, 16 bytes long.
Data: < ¦ > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F8E3EFEC30, 16 bytes long.
Data: <p ¦ > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F8E3EFF450, 16 bytes long.
Data: < À ¦ > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra