Task 38663118
| Name | test_279-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1569_1 |
| Workunit | 31606310 |
| Created | 24 Oct 2026, 21:21:34 UTC |
| Sent | 24 Oct 2026, 21:21:39 UTC |
| Report deadline | 29 Oct 2026, 21:21:39 UTC |
| Received | 24 Oct 2026, 23:05:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630396 |
| Run time | 1 hours 5 min 32 sec |
| CPU time | 1 hours 0 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,956.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 746.94 MB |
| Peak swap size | 9.18 GB |
| Peak disk usage | 4.18 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:02:54 (57700): wrapper (7.9.26016): starting
00:02:54 (57700): 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
00:02:56 (57700): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:02:56 (57700): 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\22\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\22\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
01:04:35 (57700): C:/Windows/system32/cmd.exe exited; CPU time 3616.250000
01:04:35 (57700): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 70482543 bytes.
Dumping objects ->
{3835467} normal block at 0x0000025628D96090, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000025628D95D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835445} normal block at 0x0000025628D96020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835434} normal block at 0x0000025628D963A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835423} normal block at 0x0000025628D95F40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835392} normal block at 0x000002562AAD4FB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835381} normal block at 0x000002562AAEEB20, 102 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) : {3835378} normal block at 0x0000025628D8F2E0, 8 bytes long.
Data: < Ö(V > 00 00 D6 28 56 02 00 00
{3834657} normal block at 0x000002562AAEE390, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x0000025628D8E7A0, 8 bytes long.
Data: <0ŽÛ(V > 30 8E DB 28 56 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025628D90E00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025628D7F530, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000025628D94FC0, 16 bytes long.
Data: <È[Ù(V > C8 5B D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025628D954C0, 16 bytes long.
Data: < [Ù(V > A0 5B D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025628D8F830, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000025628D94F70, 16 bytes long.
Data: <x[Ù(V > 78 5B D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025628D94ED0, 16 bytes long.
Data: <P[Ù(V > 50 5B D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025628D94DE0, 16 bytes long.
Data: <([Ù(V > 28 5B D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025628D94F20, 16 bytes long.
Data: < [Ù(V > 00 5B D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025628D96250, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000025628D95010, 16 bytes long.
Data: < ί(V > 98 8C D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025628D8FAD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000025628D94D90, 16 bytes long.
Data: <pί(V > 70 8C D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025628D94AC0, 16 bytes long.
Data: <Hί(V > 48 8C D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025628D94D40, 16 bytes long.
Data: < ί(V > 20 8C D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025628D94A20, 16 bytes long.
Data: <ø‹Ø(V > F8 8B D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025628D95830, 16 bytes long.
Data: <ЋØ(V > D0 8B D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025628D95560, 16 bytes long.
Data: <¨‹Ø(V > A8 8B D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025628D8F5F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000025628D94C50, 16 bytes long.
Data: < ‹Ø(V > 80 8B D8 28 56 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025628D88B80, 320 bytes long.
Data: <PLÙ(V ðõØ(V > 50 4C D9 28 56 02 00 00 F0 F5 D8 28 56 02 00 00
{275} normal block at 0x0000025628D949D0, 16 bytes long.
Data: <àZÙ(V > E0 5A D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025628D94930, 16 bytes long.
Data: <¸ZÙ(V > B8 5A D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025628D901F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000025628D94E30, 16 bytes long.
Data: < ZÙ(V > 90 5A D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025628D90190, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000025628D95290, 16 bytes long.
Data: <ØYÙ(V > D8 59 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025628D95470, 16 bytes long.
Data: <°YÙ(V > B0 59 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025628D95600, 16 bytes long.
Data: < YÙ(V > 88 59 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025628D94B10, 16 bytes long.
Data: <`YÙ(V > 60 59 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025628D94CF0, 16 bytes long.
Data: <8YÙ(V > 38 59 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025628D95330, 16 bytes long.
Data: < YÙ(V > 10 59 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025628D95420, 16 bytes long.
Data: <àÁ×(V > E0 C1 D7 28 56 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025628D7C1E0, 40 bytes long.
Data: < TÙ(V °O­*V > 20 54 D9 28 56 02 00 00 B0 4F AD 2A 56 02 00 00
{261} normal block at 0x0000025628D95790, 16 bytes long.
Data: <ðXÙ(V > F0 58 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025628D94980, 16 bytes long.
Data: <ÈXÙ(V > C8 58 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025628D8FCB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000025628D94C00, 16 bytes long.
Data: < XÙ(V > A0 58 D9 28 56 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025628D958A0, 992 bytes long.
Data: < LÙ(V °üØ(V > 00 4C D9 28 56 02 00 00 B0 FC D8 28 56 02 00 00
{93} normal block at 0x0000025628D8FB30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000025628D8ED90, 16 bytes long.
Data: < ÿ×(V > 00 FF D7 28 56 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000025628D7FF00, 40 bytes long.
Data: < íØ(V 0ûØ(V > 90 ED D8 28 56 02 00 00 30 FB D8 28 56 02 00 00
{70} normal block at 0x0000025628D8EF70, 16 bytes long.
Data: < êéô÷ > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025628D8E6B0, 16 bytes long.
Data: <@ééô÷ > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025628D8E930, 16 bytes long.
Data: <øWæô÷ > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025628D8E700, 16 bytes long.
Data: <ØWæô÷ > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025628D8F1A0, 16 bytes long.
Data: <P æô÷ > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025628D8E5C0, 16 bytes long.
Data: <0 æô÷ > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025628D8F3D0, 16 bytes long.
Data: <à æô÷ > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025628D8F330, 16 bytes long.
Data: < æô÷ > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025628D8EB10, 16 bytes long.
Data: <p æô÷ > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025628D8E840, 16 bytes long.
Data: < Àäô÷ > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra