Task 38687986
| Name | test_596-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2903_0 |
| Workunit | 31629356 |
| Created | 28 Oct 2026, 10:54:55 UTC |
| Sent | 28 Oct 2026, 10:54:58 UTC |
| Report deadline | 2 Nov 2026, 10:54:58 UTC |
| Received | 28 Oct 2026, 11:55:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654960 |
| Run time | 30 min 3 sec |
| CPU time | 27 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 801.37 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:27:20 (3464): wrapper (7.9.26016): starting
04:27:20 (3464): 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
04:27:22 (3464): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:27:22 (3464): 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
04:54:58 (3464): C:/Windows/system32/cmd.exe exited; CPU time 1640.437500
04:54:58 (3464): 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: 40876523 bytes.
Dumping objects ->
{3835451} normal block at 0x00000208A85E6900, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835440} normal block at 0x00000208A85E69E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835429} normal block at 0x00000208A85E6C10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835418} normal block at 0x00000208A85E6890, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x00000208A85E6740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835376} normal block at 0x00000208AA278060, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x00000208AA28E740, 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) : {3835362} normal block at 0x00000208A85DF890, 8 bytes long.
Data: < Ϭ > 00 00 9C A8 08 02 00 00
{3834640} normal block at 0x00000208AA28F240, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000208A85DF480, 8 bytes long.
Data: < ©(ª > A0 A9 28 AA 08 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000208A85E0A30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000208A85D5F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000208A85E5450, 16 bytes long.
Data: <Èc^¨ > C8 63 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000208A85E5D10, 16 bytes long.
Data: < c^¨ > A0 63 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000208A85E2750, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000208A85E5680, 16 bytes long.
Data: <xc^¨ > 78 63 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000208A85E5C70, 16 bytes long.
Data: <Pc^¨ > 50 63 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000208A85E5EA0, 16 bytes long.
Data: <(c^¨ > 28 63 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000208A85E5400, 16 bytes long.
Data: < c^¨ > 00 63 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000208A85E67B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000208A85E5FE0, 16 bytes long.
Data: <Ø÷\¨ > D8 F7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000208A85E20F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000208A85E53B0, 16 bytes long.
Data: <°÷\¨ > B0 F7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000208A85E5220, 16 bytes long.
Data: < ÷\¨ > 88 F7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000208A85E5E50, 16 bytes long.
Data: <`÷\¨ > 60 F7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000208A85E5360, 16 bytes long.
Data: <8÷\¨ > 38 F7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000208A85E5180, 16 bytes long.
Data: < ÷\¨ > 10 F7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000208A85E5720, 16 bytes long.
Data: <èö\¨ > E8 F6 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000208A85E1D30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000208A85E5E00, 16 bytes long.
Data: <Àö\¨ > C0 F6 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000208A85CF6C0, 320 bytes long.
Data: < ^^¨ 0 ^¨ > 00 5E 5E A8 08 02 00 00 30 1D 5E A8 08 02 00 00
{268} normal block at 0x00000208A85E5630, 16 bytes long.
Data: <àb^¨ > E0 62 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000208A85E5C20, 16 bytes long.
Data: <¸b^¨ > B8 62 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000208A85E2150, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000208A85E5310, 16 bytes long.
Data: < b^¨ > 90 62 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000208A85E2030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000208A85E5F40, 16 bytes long.
Data: <Øa^¨ > D8 61 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000208A85E55E0, 16 bytes long.
Data: <°a^¨ > B0 61 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000208A85E5130, 16 bytes long.
Data: < a^¨ > 88 61 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000208A85E6030, 16 bytes long.
Data: <`a^¨ > 60 61 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000208A85E50E0, 16 bytes long.
Data: <8a^¨ > 38 61 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000208A85E5DB0, 16 bytes long.
Data: < a^¨ > 10 61 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000208A85E57C0, 16 bytes long.
Data: <à×\¨ > E0 D7 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000208A85CD7E0, 40 bytes long.
Data: <ÀW^¨ ` 'ª > C0 57 5E A8 08 02 00 00 60 80 27 AA 08 02 00 00
{254} normal block at 0x00000208A85E5EF0, 16 bytes long.
Data: <ð`^¨ > F0 60 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000208A85E5CC0, 16 bytes long.
Data: <È`^¨ > C8 60 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000208A85E1910, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000208A85E5270, 16 bytes long.
Data: < `^¨ > A0 60 5E A8 08 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000208A85E60A0, 992 bytes long.
Data: <pR^¨ ^¨ > 70 52 5E A8 08 02 00 00 10 19 5E A8 08 02 00 00
{86} normal block at 0x00000208A85E23F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000208A85DF070, 16 bytes long.
Data: <ðË\¨ > F0 CB 5C A8 08 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000208A85CCBF0, 40 bytes long.
Data: <pð]¨ ð#^¨ > 70 F0 5D A8 08 02 00 00 F0 23 5E A8 08 02 00 00
{63} normal block at 0x00000208A85DEF80, 16 bytes long.
Data: < ê¥y÷ > 80 EA A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000208A85DFCA0, 16 bytes long.
Data: <@é¥y÷ > 40 E9 A5 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000208A85DF8E0, 16 bytes long.
Data: <øW¢y÷ > F8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000208A85DEDA0, 16 bytes long.
Data: <ØW¢y÷ > D8 57 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000208A85DEF30, 16 bytes long.
Data: <P ¢y÷ > 50 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000208A85DF610, 16 bytes long.
Data: <0 ¢y÷ > 30 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000208A85DFB60, 16 bytes long.
Data: <à ¢y÷ > E0 02 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000208A85DEFD0, 16 bytes long.
Data: < ¢y÷ > 10 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000208A85DF930, 16 bytes long.
Data: <p ¢y÷ > 70 04 A2 79 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000208A85DEDF0, 16 bytes long.
Data: < À y÷ > 18 C0 A0 79 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra