Task 38682239
| Name | test_251-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8186_0 |
| Workunit | 31623866 |
| Created | 27 Oct 2026, 7:05:29 UTC |
| Sent | 27 Oct 2026, 7:05:34 UTC |
| Report deadline | 1 Nov 2026, 7:05:34 UTC |
| Received | 27 Oct 2026, 7:29:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 518413 |
| Run time | 22 min 48 sec |
| CPU time | 21 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,867.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.90 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:07:32 (53388): wrapper (7.9.26016): starting
00:07:32 (53388): 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
00:07:33 (53388): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:07:33 (53388): 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\1\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\1\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
00:29:05 (53388): C:/Windows/system32/cmd.exe exited; CPU time 1268.921875
00:29:05 (53388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23891257 bytes.
Dumping objects ->
{3835219} normal block at 0x000001BE8F8B50A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x000001BE8F8B4EE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001BE8F8B4D90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x000001BE8F8B4FC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001BE8F8B4C40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x000001BE914EA380, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000001BE8F90C3C0, 140 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) : {3835130} normal block at 0x000001BE8F8ADBE0, 8 bytes long.
Data: < È ¾ > 00 00 C8 8F BE 01 00 00
{3834533} normal block at 0x000001BE8F90B380, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000001BE8F8AD6E0, 8 bytes long.
Data: <pD‹ ¾ > 70 44 8B 8F BE 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BE8F8B1670, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BE8F89EFB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001BE8F8B57D0, 16 bytes long.
Data: <xi‹ ¾ > 78 69 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BE8F8B5AF0, 16 bytes long.
Data: <Pi‹ ¾ > 50 69 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BE8F8AFAC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001BE8F8B65E0, 16 bytes long.
Data: <(i‹ ¾ > 28 69 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BE8F8B58C0, 16 bytes long.
Data: < i‹ ¾ > 00 69 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BE8F8B5CD0, 16 bytes long.
Data: <Øh‹ ¾ > D8 68 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BE8F8B5B90, 16 bytes long.
Data: <°h‹ ¾ > B0 68 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BE8F8B4CB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001BE8F8B5AA0, 16 bytes long.
Data: <Ø Š ¾ > D8 04 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BE8F8AFE80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001BE8F8B5A50, 16 bytes long.
Data: <° Š ¾ > B0 04 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BE8F8B5820, 16 bytes long.
Data: < Š ¾ > 88 04 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BE8F8B6130, 16 bytes long.
Data: <` Š ¾ > 60 04 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BE8F8B6040, 16 bytes long.
Data: <8 Š ¾ > 38 04 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BE8F8B6450, 16 bytes long.
Data: < Š ¾ > 10 04 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BE8F8B5FF0, 16 bytes long.
Data: <è Š ¾ > E8 03 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BE8F8AF880, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001BE8F8B5690, 16 bytes long.
Data: <À Š ¾ > C0 03 8A 8F BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BE8F8A03C0, 320 bytes long.
Data: < V‹ ¾ øŠ ¾ > 90 56 8B 8F BE 01 00 00 80 F8 8A 8F BE 01 00 00
{271} normal block at 0x000001BE8F8B5780, 16 bytes long.
Data: < h‹ ¾ > 90 68 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BE8F8B5A00, 16 bytes long.
Data: <hh‹ ¾ > 68 68 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BE8F8AEFE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001BE8F8B5BE0, 16 bytes long.
Data: <@h‹ ¾ > 40 68 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BE8F8AFCA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001BE8F8B62C0, 16 bytes long.
Data: < g‹ ¾ > 88 67 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BE8F8B5EB0, 16 bytes long.
Data: <`g‹ ¾ > 60 67 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BE8F8B60E0, 16 bytes long.
Data: <8g‹ ¾ > 38 67 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BE8F8B5730, 16 bytes long.
Data: < g‹ ¾ > 10 67 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BE8F8B5F50, 16 bytes long.
Data: <èf‹ ¾ > E8 66 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BE8F8B56E0, 16 bytes long.
Data: <Àf‹ ¾ > C0 66 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BE8F8B5B40, 16 bytes long.
Data: < Q‹ ¾ > 10 51 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BE8F8B5110, 40 bytes long.
Data: <@[‹ ¾ £N‘¾ > 40 5B 8B 8F BE 01 00 00 80 A3 4E 91 BE 01 00 00
{257} normal block at 0x000001BE8F8B5FA0, 16 bytes long.
Data: < f‹ ¾ > A0 66 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BE8F8B6310, 16 bytes long.
Data: <xf‹ ¾ > 78 66 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BE8F8AFDC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001BE8F8B5F00, 16 bytes long.
Data: <Pf‹ ¾ > 50 66 8B 8F BE 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BE8F8B6650, 992 bytes long.
Data: < _‹ ¾ ÀýŠ ¾ > 00 5F 8B 8F BE 01 00 00 C0 FD 8A 8F BE 01 00 00
{89} normal block at 0x000001BE8F8AF160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001BE8F8ADD70, 16 bytes long.
Data: <ðÿ‰ ¾ > F0 FF 89 8F BE 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001BE8F89FFF0, 40 bytes long.
Data: <pÝŠ ¾ `ñŠ ¾ > 70 DD 8A 8F BE 01 00 00 60 F1 8A 8F BE 01 00 00
{66} normal block at 0x000001BE8F8ADA00, 16 bytes long.
Data: < êY ö > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BE8F8AD9B0, 16 bytes long.
Data: <@éY ö > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BE8F8AD820, 16 bytes long.
Data: <øWV ö > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BE8F8AD7D0, 16 bytes long.
Data: <ØWV ö > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BE8F8ADD20, 16 bytes long.
Data: <P V ö > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BE8F8AD320, 16 bytes long.
Data: <0 V ö > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BE8F8ADA50, 16 bytes long.
Data: <à V ö > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BE8F8ADEB0, 16 bytes long.
Data: < V ö > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BE8F8AD960, 16 bytes long.
Data: <p V ö > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BE8F8ADC80, 16 bytes long.
Data: < ÀT ö > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra