Task 38673258
| Name | test_61-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2879_0 |
| Workunit | 31615351 |
| Created | 26 Oct 2026, 2:00:08 UTC |
| Sent | 26 Oct 2026, 2:00:11 UTC |
| Report deadline | 31 Oct 2026, 2:00:11 UTC |
| Received | 26 Oct 2026, 8:29:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 59 min 22 sec |
| CPU time | 59 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.46 MB |
| Peak swap size | 12.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:28:38 (78144): wrapper (7.9.26016): starting
03:28:38 (78144): 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
03:28:39 (78144): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:28:39 (78144): 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\32\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\32\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
04:28:32 (78144): C:/Windows/system32/cmd.exe exited; CPU time 3562.703125
04:28:32 (78144): 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: 102339859 bytes.
Dumping objects ->
{3835512} normal block at 0x000001EBB04911E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x000001EBAE877FF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x000001EBAE878610, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x000001EBAE878140, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000001EBAE8786F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x000001EBB04DABE0, 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) : {3835424} normal block at 0x000001EBAE8700E0, 8 bytes long.
Data: < Ä®ë > 00 00 C4 AE EB 01 00 00
{3833965} normal block at 0x000001EBAE86FAF0, 8 bytes long.
Data: < ÜN°ë > 00 DC 4E B0 EB 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001EBAE867740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001EBAE868720, 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 0x000001EBAE878EE0, 16 bytes long.
Data: <蚇®ë > E8 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EBAE8788A0, 16 bytes long.
Data: <Àš‡®ë > C0 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EBAE872960, 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 0x000001EBAE879250, 16 bytes long.
Data: < š‡®ë > 98 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EBAE878AD0, 16 bytes long.
Data: <pš‡®ë > 70 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EBAE8792A0, 16 bytes long.
Data: <Hš‡®ë > 48 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EBAE878E40, 16 bytes long.
Data: < š‡®ë > 20 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EBAE878530, 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 0x000001EBAE879430, 16 bytes long.
Data: <XÄ…®ë > 58 C4 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EBAE8728A0, 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 0x000001EBAE879200, 16 bytes long.
Data: <0Ä…®ë > 30 C4 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EBAE879160, 16 bytes long.
Data: < Ä…®ë > 08 C4 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EBAE878B20, 16 bytes long.
Data: <àÃ…®ë > E0 C3 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EBAE878DF0, 16 bytes long.
Data: <¸Ã…®ë > B8 C3 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EBAE879110, 16 bytes long.
Data: < Ã…®ë > 90 C3 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EBAE878D00, 16 bytes long.
Data: <hÃ…®ë > 68 C3 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EBAE872060, 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 0x000001EBAE879750, 16 bytes long.
Data: <@Ã…®ë > 40 C3 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EBAE85C340, 320 bytes long.
Data: <P—‡®ë ` ‡®ë > 50 97 87 AE EB 01 00 00 60 20 87 AE EB 01 00 00
{278} normal block at 0x000001EBAE878DA0, 16 bytes long.
Data: < š‡®ë > 00 9A 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EBAE879660, 16 bytes long.
Data: <Ø ‡®ë > D8 99 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EBAE8724E0, 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 0x000001EBAE878D50, 16 bytes long.
Data: <° ‡®ë > B0 99 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EBAE872240, 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 0x000001EBAE878E90, 16 bytes long.
Data: <ø ‡®ë > F8 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EBAE878CB0, 16 bytes long.
Data: <Ð ‡®ë > D0 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EBAE879610, 16 bytes long.
Data: <¨ ‡®ë > A8 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EBAE8791B0, 16 bytes long.
Data: < ਑ > 80 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EBAE878C60, 16 bytes long.
Data: <X ਑ > 58 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EBAE879570, 16 bytes long.
Data: <0 ਑ > 30 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EBAE879390, 16 bytes long.
Data: <P„‡®ë > 50 84 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EBAE878450, 40 bytes long.
Data: < “‡®ë à«M°ë > 90 93 87 AE EB 01 00 00 E0 AB 4D B0 EB 01 00 00
{264} normal block at 0x000001EBAE878A80, 16 bytes long.
Data: < ਑ > 10 98 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EBAE878850, 16 bytes long.
Data: <è—‡®ë > E8 97 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EBAE871E80, 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 0x000001EBAE878800, 16 bytes long.
Data: <À—‡®ë > C0 97 87 AE EB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EBAE8797C0, 992 bytes long.
Data: < ਑ ਑ > 00 88 87 AE EB 01 00 00 80 1E 87 AE EB 01 00 00
{96} normal block at 0x000001EBAE8729C0, 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 0x000001EBAE870400, 16 bytes long.
Data: <°Ð…®ë > B0 D0 85 AE EB 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001EBAE85D0B0, 40 bytes long.
Data: < ‡®ë À)‡®ë > 00 04 87 AE EB 01 00 00 C0 29 87 AE EB 01 00 00
{73} normal block at 0x000001EBAE86FE60, 16 bytes long.
Data: < êS†ö > 80 EA 53 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EBAE870860, 16 bytes long.
Data: <@éS†ö > 40 E9 53 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EBAE870810, 16 bytes long.
Data: <øWP†ö > F8 57 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EBAE86F9B0, 16 bytes long.
Data: <ØWP†ö > D8 57 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EBAE86FFF0, 16 bytes long.
Data: <P P†ö > 50 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EBAE870360, 16 bytes long.
Data: <0 P†ö > 30 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EBAE86FAA0, 16 bytes long.
Data: <à P†ö > E0 02 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EBAE86FE10, 16 bytes long.
Data: < P†ö > 10 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EBAE86FA50, 16 bytes long.
Data: <p P†ö > 70 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EBAE870720, 16 bytes long.
Data: < ÀN†ö > 18 C0 4E 86 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra