Task 38684945
| Name | test_403-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1692_0 |
| Workunit | 31626443 |
| Created | 27 Oct 2026, 18:42:18 UTC |
| Sent | 27 Oct 2026, 18:42:22 UTC |
| Report deadline | 1 Nov 2026, 18:42:22 UTC |
| Received | 27 Oct 2026, 19:39:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 21 min 6 sec |
| CPU time | 15 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 57,419.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.29 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:18:16 (31012): wrapper (7.9.26016): starting
14:18:16 (31012): 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
14:18:17 (31012): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:17 (31012): 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
14:38:34 (31012): C:/Windows/system32/cmd.exe exited; CPU time 949.390625
14:38:34 (31012): 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: 22788947 bytes.
Dumping objects ->
{3835193} normal block at 0x000002A1E6E2D500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000002A1E6E2CBD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x000002A1E6E2D0A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x000002A1E6E2CB60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x000002A1E6E2D260, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x000002A1E8AFD2B0, 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) : {3835105} normal block at 0x000002A1E6E1CEA0, 8 bytes long.
Data: < Ýæ¡ > 00 00 DD E6 A1 02 00 00
{3833951} normal block at 0x000002A1E6E1D030, 8 bytes long.
Data: <@ê è¡ > 40 EA A0 E8 A1 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002A1E6E1D780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A1E6E1AB70, 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 0x000002A1E6E2E210, 16 bytes long.
Data: < îâæ¡ > 18 EE E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A1E6E2E8F0, 16 bytes long.
Data: <ðíâæ¡ > F0 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A1E6E2A910, 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 0x000002A1E6E2E800, 16 bytes long.
Data: <Èíâæ¡ > C8 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A1E6E2DD10, 16 bytes long.
Data: < íâæ¡ > A0 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A1E6E2E170, 16 bytes long.
Data: <xíâæ¡ > 78 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A1E6E2DE00, 16 bytes long.
Data: <Píâæ¡ > 50 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A1E6E29E90, 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 0x000002A1E6E2E670, 16 bytes long.
Data: <8ºáæ¡ > 38 BA E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A1E6E2A0D0, 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 0x000002A1E6E2E7B0, 16 bytes long.
Data: < ºáæ¡ > 10 BA E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A1E6E2E620, 16 bytes long.
Data: <è¹áæ¡ > E8 B9 E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A1E6E2E3F0, 16 bytes long.
Data: <À¹áæ¡ > C0 B9 E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A1E6E2E490, 16 bytes long.
Data: < ¹áæ¡ > 98 B9 E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A1E6E2E5D0, 16 bytes long.
Data: <p¹áæ¡ > 70 B9 E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A1E6E2E300, 16 bytes long.
Data: <H¹áæ¡ > 48 B9 E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A1E6E2A670, 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 0x000002A1E6E2E030, 16 bytes long.
Data: < ¹áæ¡ > 20 B9 E1 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A1E6E1B920, 320 bytes long.
Data: <0àâæ¡ p¦âæ¡ > 30 E0 E2 E6 A1 02 00 00 70 A6 E2 E6 A1 02 00 00
{271} normal block at 0x000002A1E6E2E580, 16 bytes long.
Data: <0íâæ¡ > 30 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A1E6E2E9E0, 16 bytes long.
Data: < íâæ¡ > 08 ED E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A1E6E2AF10, 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 0x000002A1E6E2DC70, 16 bytes long.
Data: <àìâæ¡ > E0 EC E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A1E6E2A070, 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 0x000002A1E6E2DC20, 16 bytes long.
Data: <(ìâæ¡ > 28 EC E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A1E6E2DD60, 16 bytes long.
Data: < ìâæ¡ > 00 EC E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A1E6E2E4E0, 16 bytes long.
Data: <Øëâæ¡ > D8 EB E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A1E6E2E260, 16 bytes long.
Data: <°ëâæ¡ > B0 EB E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A1E6E2DFE0, 16 bytes long.
Data: < ëâæ¡ > 88 EB E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A1E6E2DEA0, 16 bytes long.
Data: <`ëâæ¡ > 60 EB E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A1E6E2DF90, 16 bytes long.
Data: <à âæ¡ > E0 98 E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A1E6E298E0, 40 bytes long.
Data: < ßâæ¡ °Ò¯è¡ > 90 DF E2 E6 A1 02 00 00 B0 D2 AF E8 A1 02 00 00
{257} normal block at 0x000002A1E6E2E850, 16 bytes long.
Data: <@ëâæ¡ > 40 EB E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002A1E6E2DBD0, 16 bytes long.
Data: < ëâæ¡ > 18 EB E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002A1E6E2A550, 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 0x000002A1E6E2E530, 16 bytes long.
Data: <ðêâæ¡ > F0 EA E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002A1E6E2EAF0, 992 bytes long.
Data: <0åâæ¡ P¥âæ¡ > 30 E5 E2 E6 A1 02 00 00 50 A5 E2 E6 A1 02 00 00
{89} normal block at 0x000002A1E6E2ACD0, 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 0x000002A1E6E1C9A0, 16 bytes long.
Data: <@ âæ¡ > 40 9D E2 E6 A1 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002A1E6E29D40, 40 bytes long.
Data: < Éáæ¡ Ð¬âæ¡ > A0 C9 E1 E6 A1 02 00 00 D0 AC E2 E6 A1 02 00 00
{66} normal block at 0x000002A1E6E1CBD0, 16 bytes long.
Data: < ê/èö > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A1E6E1C450, 16 bytes long.
Data: <@é/èö > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A1E6E1D080, 16 bytes long.
Data: <øW,èö > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A1E6E1C720, 16 bytes long.
Data: <ØW,èö > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A1E6E1CE50, 16 bytes long.
Data: <P ,èö > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A1E6E1CE00, 16 bytes long.
Data: <0 ,èö > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A1E6E1CFE0, 16 bytes long.
Data: <à ,èö > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A1E6E1C950, 16 bytes long.
Data: < ,èö > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A1E6E1CB30, 16 bytes long.
Data: <p ,èö > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A1E6E1C770, 16 bytes long.
Data: < À*èö > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra