Task 38698439
| Name | test_532-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5048_0 |
| Workunit | 31638959 |
| Created | 2 Nov 2026, 14:19:22 UTC |
| Sent | 2 Nov 2026, 14:19:23 UTC |
| Report deadline | 7 Nov 2026, 14:19:23 UTC |
| Received | 2 Nov 2026, 15:31:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 591223 |
| Run time | 1 hours 9 min 19 sec |
| CPU time | 1 hours 5 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,066.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.73 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:22:54 (37280): wrapper (7.9.26016): starting
09:22:54 (37280): 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
09:23:16 (37280): Library/usr/bin/tar.exe exited; CPU time 0.312500
09:23:16 (37280): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
10:29:56 (37280): C:/Windows/system32/cmd.exe exited; CPU time 3924.937500
10:29:56 (37280): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 89150979 bytes.
Dumping objects ->
{3835243} normal block at 0x00000246A29DAB30, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x00000246A29DB2A0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x00000246A29DB5B0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835210} normal block at 0x00000246A29DAF90, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x00000246A29DB8C0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835168} normal block at 0x00000246A29DA340, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835157} normal block at 0x00000246A2A0D590, 135 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) : {3835154} normal block at 0x00000246A29B0CE0, 8 bytes long.
Data: < “¢F > 00 00 93 A2 46 02 00 00
{3834554} normal block at 0x00000246A2A0D660, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x00000246A29B0F10, 8 bytes long.
Data: < Þ ¢F > 00 DE 99 A2 46 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000246A29A5A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000246A29A6A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000246A29B5CB0, 16 bytes long.
Data: < oݢF > 98 6F 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000246A29B6BB0, 16 bytes long.
Data: <poݢF > 70 6F 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000246A29B1470, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000246A29B6B10, 16 bytes long.
Data: <HoݢF > 48 6F 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000246A29B6840, 16 bytes long.
Data: < oݢF > 20 6F 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000246A29B6750, 16 bytes long.
Data: <øn›¢F > F8 6E 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000246A29B6520, 16 bytes long.
Data: <Ðn›¢F > D0 6E 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000246A29B4B60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000246A29B6A70, 16 bytes long.
Data: <XÌ ¢F > 58 CC 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000246A29B11D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000246A29B6110, 16 bytes long.
Data: <0Ì ¢F > 30 CC 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000246A29B67A0, 16 bytes long.
Data: < Ì ¢F > 08 CC 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000246A29B64D0, 16 bytes long.
Data: <àË ¢F > E0 CB 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000246A29B5F80, 16 bytes long.
Data: <¸Ë ¢F > B8 CB 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000246A29B6340, 16 bytes long.
Data: < Ë ¢F > 90 CB 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000246A29B6480, 16 bytes long.
Data: <hË ¢F > 68 CB 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000246A29B1D70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000246A29B69D0, 16 bytes long.
Data: <@Ë ¢F > 40 CB 99 A2 46 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000246A299CB40, 320 bytes long.
Data: <Ði›¢F p ›¢F > D0 69 9B A2 46 02 00 00 70 1D 9B A2 46 02 00 00
{278} normal block at 0x00000246A29B6700, 16 bytes long.
Data: <°n›¢F > B0 6E 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000246A29B6AC0, 16 bytes long.
Data: < nݢF > 88 6E 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000246A29B1230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000246A29B60C0, 16 bytes long.
Data: <`nݢF > 60 6E 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000246A29B1050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000246A29B68E0, 16 bytes long.
Data: <¨m›¢F > A8 6D 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000246A29B5EE0, 16 bytes long.
Data: < mݢF > 80 6D 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000246A29B6B60, 16 bytes long.
Data: <XmݢF > 58 6D 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000246A29B66B0, 16 bytes long.
Data: <0mݢF > 30 6D 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000246A29B63E0, 16 bytes long.
Data: < mݢF > 08 6D 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000246A29B6890, 16 bytes long.
Data: <àl›¢F > E0 6C 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000246A29B61B0, 16 bytes long.
Data: < I›¢F > A0 49 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000246A29B49A0, 40 bytes long.
Data: <°a›¢F @£ ¢F > B0 61 9B A2 46 02 00 00 40 A3 9D A2 46 02 00 00
{264} normal block at 0x00000246A29B6C00, 16 bytes long.
Data: <Àl›¢F > C0 6C 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000246A29B6980, 16 bytes long.
Data: < lݢF > 98 6C 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000246A29B1F50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000246A29B6020, 16 bytes long.
Data: <plݢF > 70 6C 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000246A29B6C70, 992 bytes long.
Data: < `ݢF P ݢF > 20 60 9B A2 46 02 00 00 50 1F 9B A2 46 02 00 00
{96} normal block at 0x00000246A29B1350, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000246A29B0EC0, 16 bytes long.
Data: < JݢF > 10 4A 9B A2 46 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000246A29B4A10, 40 bytes long.
Data: <À ›¢F P ›¢F > C0 0E 9B A2 46 02 00 00 50 13 9B A2 46 02 00 00
{73} normal block at 0x00000246A29B0420, 16 bytes long.
Data: < êø ö > 80 EA F8 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000246A29B0E70, 16 bytes long.
Data: <@éø ö > 40 E9 F8 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000246A29B08D0, 16 bytes long.
Data: <øWõ ö > F8 57 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000246A29B0790, 16 bytes long.
Data: <ØWõ ö > D8 57 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000246A29B09C0, 16 bytes long.
Data: <P õ ö > 50 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000246A29B0240, 16 bytes long.
Data: <0 õ ö > 30 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000246A29B05B0, 16 bytes long.
Data: <à õ ö > E0 02 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000246A29B0510, 16 bytes long.
Data: < õ ö > 10 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000246A29B0560, 16 bytes long.
Data: <p õ ö > 70 04 F5 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000246A29B01F0, 16 bytes long.
Data: < Àó ö > 18 C0 F3 18 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra