Task 38687222
| Name | test_143-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7187_0 |
| Workunit | 31628616 |
| Created | 28 Oct 2026, 6:37:26 UTC |
| Sent | 28 Oct 2026, 6:37:33 UTC |
| Report deadline | 2 Nov 2026, 6:37:33 UTC |
| Received | 28 Oct 2026, 7:56:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652922 |
| Run time | 18 min 59 sec |
| CPU time | 17 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.12 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:37:10 (57164): wrapper (7.9.26016): starting
02:37:10 (57164): 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
02:37:11 (57164): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:37:11 (57164): 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\11\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\11\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
02:55:07 (57164): C:/Windows/system32/cmd.exe exited; CPU time 1053.656250
02:55:07 (57164): 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: 20531681 bytes.
Dumping objects ->
{3835250} normal block at 0x0000029421EC0980, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x0000029420138590, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x0000029420138520, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x00000294201387C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x0000029420138750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x0000029421F09B90, 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) : {3835162} normal block at 0x000002942012F880, 8 bytes long.
Data: < l ” > 00 00 6C 20 94 02 00 00
{3833961} normal block at 0x000002942012FC90, 8 bytes long.
Data: <@| ” > 40 7C 13 20 94 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000294201318A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002942011F000, 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 0x00000294201391D0, 16 bytes long.
Data: <X  ” > 58 A0 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029420139310, 16 bytes long.
Data: <0  ” > 30 A0 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000294201306D0, 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 0x00000294201399F0, 16 bytes long.
Data: <   ” > 08 A0 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029420139400, 16 bytes long.
Data: <àŸ ” > E0 9F 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029420138DC0, 16 bytes long.
Data: <¸Ÿ ” > B8 9F 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029420139BD0, 16 bytes long.
Data: < Ÿ ” > 90 9F 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000294201383D0, 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 0x00000294201394F0, 16 bytes long.
Data: <(ð ” > 28 F0 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029420131090, 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 0x00000294201398B0, 16 bytes long.
Data: < ð ” > 00 F0 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029420139590, 16 bytes long.
Data: <Øï ” > D8 EF 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029420139CC0, 16 bytes long.
Data: <°ï ” > B0 EF 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029420139C70, 16 bytes long.
Data: < ï ” > 88 EF 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000294201394A0, 16 bytes long.
Data: <`ï ” > 60 EF 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029420138F50, 16 bytes long.
Data: <8ï ” > 38 EF 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029420130730, 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 0x0000029420139450, 16 bytes long.
Data: < ï ” > 10 EF 12 20 94 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002942012EF10, 320 bytes long.
Data: <P” ” 0 ” > 50 94 13 20 94 02 00 00 30 07 13 20 94 02 00 00
{276} normal block at 0x00000294201393B0, 16 bytes long.
Data: <pŸ ” > 70 9F 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029420139860, 16 bytes long.
Data: <HŸ ” > 48 9F 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029420130910, 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 0x0000029420139630, 16 bytes long.
Data: < Ÿ ” > 20 9F 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029420130610, 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 0x0000029420139810, 16 bytes long.
Data: <hž ” > 68 9E 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029420139720, 16 bytes long.
Data: <@ž ” > 40 9E 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029420139AE0, 16 bytes long.
Data: < ž ” > 18 9E 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000294201397C0, 16 bytes long.
Data: <ð ” > F0 9D 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029420139B80, 16 bytes long.
Data: <È ” > C8 9D 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029420138E60, 16 bytes long.
Data: <  ” > A0 9D 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000294201392C0, 16 bytes long.
Data: < ‚ ” > 80 82 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029420138280, 40 bytes long.
Data: <À’ ” ›ð!” > C0 92 13 20 94 02 00 00 90 9B F0 21 94 02 00 00
{262} normal block at 0x0000029420139B30, 16 bytes long.
Data: < ” > 80 9D 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029420139180, 16 bytes long.
Data: <X ” > 58 9D 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000294201304F0, 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 0x00000294201399A0, 16 bytes long.
Data: <0 ” > 30 9D 13 20 94 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029420139D30, 992 bytes long.
Data: <  ” ð ” > A0 99 13 20 94 02 00 00 F0 04 13 20 94 02 00 00
{94} normal block at 0x0000029420130850, 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 0x000002942012F600, 16 bytes long.
Data: <°à ” > B0 E0 11 20 94 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002942011E0B0, 40 bytes long.
Data: < ö ” P ” > 00 F6 12 20 94 02 00 00 50 08 13 20 94 02 00 00
{71} normal block at 0x000002942012F5B0, 16 bytes long.
Data: < ê Zö > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002942012FF10, 16 bytes long.
Data: <@é Zö > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002942012F920, 16 bytes long.
Data: <øW Zö > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002942012FCE0, 16 bytes long.
Data: <ØW Zö > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002942012FE70, 16 bytes long.
Data: <P Zö > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002942012F560, 16 bytes long.
Data: <0 Zö > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029420130190, 16 bytes long.
Data: <à Zö > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000294201300F0, 16 bytes long.
Data: < Zö > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002942012F6A0, 16 bytes long.
Data: <p Zö > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002942012F650, 16 bytes long.
Data: < À Zö > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra