Task 38671679
| Name | test_632-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3671_0 |
| Workunit | 31613872 |
| Created | 25 Oct 2026, 21:14:12 UTC |
| Sent | 25 Oct 2026, 21:14:18 UTC |
| Report deadline | 30 Oct 2026, 21:14:18 UTC |
| Received | 26 Oct 2026, 1:00:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653921 |
| Run time | 1 hours 22 min 32 sec |
| CPU time | 1 hours 22 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,101.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.32 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:25:36 (35104): wrapper (7.9.26016): starting
03:25:36 (35104): 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
03:25:39 (35104): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:25:39 (35104): 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\0\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\0\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
05:59:35 (35104): C:/Windows/system32/cmd.exe exited; CPU time 4952.609375
05:59:35 (35104): 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: 196973211 bytes.
Dumping objects ->
{3835177} normal block at 0x000002736D0DC2F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x000002736D0DC980, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x000002736D0DC750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835144} normal block at 0x000002736D0DC520, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000002736D0DC9F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835102} normal block at 0x000002736EB12910, 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) : {3835089} normal block at 0x000002736D0B9770, 8 bytes long.
Data: < ms > 00 00 08 6D 73 02 00 00
{3833949} normal block at 0x000002736D0B99A0, 8 bytes long.
Data: < ä¢ns > 20 E4 A2 6E 73 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002736D09DBE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002736D092DE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000002736D0B9220, 16 bytes long.
Data: <¨‰ ms > A8 89 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002736D0B8CD0, 16 bytes long.
Data: <€‰ ms > 80 89 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002736D0ABF40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000002736D0B9950, 16 bytes long.
Data: <X‰ ms > 58 89 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002736D0B8C80, 16 bytes long.
Data: <0‰ ms > 30 89 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002736D0B8FF0, 16 bytes long.
Data: < ‰ ms > 08 89 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002736D0B5C10, 16 bytes long.
Data: <à ms > E0 88 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002736D0B3910, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000002736D0B5B20, 16 bytes long.
Data: < ³ ms > 98 B3 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002736D0AB8E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000002736D0B52B0, 16 bytes long.
Data: <p³ ms > 70 B3 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002736D0B58A0, 16 bytes long.
Data: <H³ ms > 48 B3 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002736D0B5670, 16 bytes long.
Data: < ³ ms > 20 B3 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002736D0B5710, 16 bytes long.
Data: <ø² ms > F8 B2 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002736D0B5E90, 16 bytes long.
Data: <в ms > D0 B2 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002736D0B57B0, 16 bytes long.
Data: <¨² ms > A8 B2 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002736D0AB880, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000002736D0B54E0, 16 bytes long.
Data: <€² ms > 80 B2 09 6D 73 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002736D09B280, 320 bytes long.
Data: <àT ms €¸ ms > E0 54 0B 6D 73 02 00 00 80 B8 0A 6D 73 02 00 00
{270} normal block at 0x000002736D0B5AD0, 16 bytes long.
Data: <À ms > C0 88 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002736D0B5E40, 16 bytes long.
Data: < ms > 98 88 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002736D0AB460, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000002736D0B5260, 16 bytes long.
Data: <p ms > 70 88 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002736D0AB4C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000002736D0B5080, 16 bytes long.
Data: <¸‡ ms > B8 87 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002736D0B5EE0, 16 bytes long.
Data: <‡ ms > 90 87 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002736D0B5DA0, 16 bytes long.
Data: <h‡ ms > 68 87 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002736D0B55D0, 16 bytes long.
Data: <@‡ ms > 40 87 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002736D0B5A30, 16 bytes long.
Data: < ‡ ms > 18 87 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002736D0B51C0, 16 bytes long.
Data: <ð† ms > F0 86 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002736D0B5760, 16 bytes long.
Data: <08 ms > 30 38 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002736D0B3830, 40 bytes long.
Data: <`W ms )±ns > 60 57 0B 6D 73 02 00 00 10 29 B1 6E 73 02 00 00
{256} normal block at 0x000002736D0B5F80, 16 bytes long.
Data: <І ms > D0 86 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002736D0B5990, 16 bytes long.
Data: <¨† ms > A8 86 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002736D0AC0C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000002736D0B5B70, 16 bytes long.
Data: <۠ ms > 80 86 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002736D0B8680, 992 bytes long.
Data: <p[ ms ÀÀ ms > 70 5B 0B 6D 73 02 00 00 C0 C0 0A 6D 73 02 00 00
{88} normal block at 0x000002736D0AB6A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000002736D0B5D00, 16 bytes long.
Data: <p6 ms > 70 36 0B 6D 73 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002736D0B3670, 40 bytes long.
Data: < ] ms  ¶ ms > 00 5D 0B 6D 73 02 00 00 A0 B6 0A 6D 73 02 00 00
{65} normal block at 0x000002736D0B5210, 16 bytes long.
Data: <€êÓ¨÷ > 80 EA D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002736D0B5580, 16 bytes long.
Data: <@éÓ¨÷ > 40 E9 D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002736D0B5800, 16 bytes long.
Data: <øWШ÷ > F8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002736D0B5490, 16 bytes long.
Data: <ØWШ÷ > D8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002736D0B5620, 16 bytes long.
Data: <P Ш÷ > 50 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002736D0B5C60, 16 bytes long.
Data: <0 Ш÷ > 30 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002736D0A9010, 16 bytes long.
Data: <à Ш÷ > E0 02 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002736D0A8FC0, 16 bytes long.
Data: < Ш÷ > 10 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002736D0A8ED0, 16 bytes long.
Data: <p Ш÷ > 70 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002736D0A8E80, 16 bytes long.
Data: < ÀΨ÷ > 18 C0 CE A8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra