Task 38696841
| Name | test_712-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0735_0 |
| Workunit | 31637457 |
| Created | 1 Nov 2026, 5:20:31 UTC |
| Sent | 1 Nov 2026, 5:20:33 UTC |
| Report deadline | 6 Nov 2026, 5:20:33 UTC |
| Received | 1 Nov 2026, 6:49:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649231 |
| Run time | 44 min 6 sec |
| CPU time | 40 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,172.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.85 MB |
| Peak swap size | 14.46 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:05:40 (22340): wrapper (7.9.26016): starting
01:05:40 (22340): 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
01:05:43 (22340): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:05:43 (22340): 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 'D:\ProgramData\BOINC\slots\36\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 'D:\ProgramData\BOINC\slots\36\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
01:48:17 (22340): C:/Windows/system32/cmd.exe exited; CPU time 2405.578125
01:48:17 (22340): 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: 55766951 bytes.
Dumping objects ->
{3835285} normal block at 0x0000019FFBB26900, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835274} normal block at 0x0000019FFBB26890, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835263} normal block at 0x0000019FFBB26820, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835252} normal block at 0x0000019FFBB267B0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x0000019FFBB26430, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835210} normal block at 0x0000019FFDACBB00, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x0000019FFDADF8D0, 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) : {3835196} normal block at 0x0000019FFBB1DF30, 8 bytes long.
Data: < üŸ > 00 00 0F FC 9F 01 00 00
{3834573} normal block at 0x0000019FFDADEB10, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000019FFBB1D490, 8 bytes long.
Data: < NµýŸ > 20 4E B5 FD 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000019FFBB21F50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019FFBB162E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000019FFBB258F0, 16 bytes long.
Data: <èb²ûŸ > E8 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019FFBB255D0, 16 bytes long.
Data: <Àb²ûŸ > C0 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019FFBB20000, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000019FFBB25580, 16 bytes long.
Data: < b²ûŸ > 98 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019FFBB25760, 16 bytes long.
Data: <pb²ûŸ > 70 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019FFBB253F0, 16 bytes long.
Data: <Hb²ûŸ > 48 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019FFBB253A0, 16 bytes long.
Data: < b²ûŸ > 20 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019FFBB26AC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000019FFBB25B20, 16 bytes long.
Data: <¸»°ûŸ > B8 BB B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019FFBB1F400, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000019FFBB254E0, 16 bytes long.
Data: < »°ûŸ > 90 BB B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019FFBB25D50, 16 bytes long.
Data: <h»°ûŸ > 68 BB B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019FFBB25350, 16 bytes long.
Data: <@»°ûŸ > 40 BB B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019FFBB25DA0, 16 bytes long.
Data: < »°ûŸ > 18 BB B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019FFBB24EA0, 16 bytes long.
Data: <ðº°ûŸ > F0 BA B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019FFBB24E50, 16 bytes long.
Data: <Ⱥ°ûŸ > C8 BA B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019FFBB1F340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000019FFBB25D00, 16 bytes long.
Data: < º°ûŸ > A0 BA B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019FFBB0BAA0, 320 bytes long.
Data: < ]²ûŸ @ó±ûŸ > 00 5D B2 FB 9F 01 00 00 40 F3 B1 FB 9F 01 00 00
{278} normal block at 0x0000019FFBB25CB0, 16 bytes long.
Data: < b²ûŸ > 00 62 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019FFBB25C10, 16 bytes long.
Data: <Øa²ûŸ > D8 61 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019FFBB1FBE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000019FFBB25850, 16 bytes long.
Data: <°a²ûŸ > B0 61 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019FFBB1FFA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000019FFBB256C0, 16 bytes long.
Data: <ø`²ûŸ > F8 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019FFBB252B0, 16 bytes long.
Data: <Ð`²ûŸ > D0 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019FFBB25170, 16 bytes long.
Data: <¨`²ûŸ > A8 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019FFBB257B0, 16 bytes long.
Data: < `²ûŸ > 80 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019FFBB25490, 16 bytes long.
Data: <X`²ûŸ > 58 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019FFBB25440, 16 bytes long.
Data: <0`²ûŸ > 30 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019FFBB25710, 16 bytes long.
Data: < Ç°ûŸ > A0 C7 B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019FFBB0C7A0, 40 bytes long.
Data: < W²ûŸ »¬ýŸ > 10 57 B2 FB 9F 01 00 00 00 BB AC FD 9F 01 00 00
{264} normal block at 0x0000019FFBB25530, 16 bytes long.
Data: < `²ûŸ > 10 60 B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019FFBB25BC0, 16 bytes long.
Data: <è_²ûŸ > E8 5F B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019FFBB1F700, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000019FFBB250D0, 16 bytes long.
Data: <À_²ûŸ > C0 5F B2 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019FFBB25FC0, 992 bytes long.
Data: <ÐP²ûŸ ÷±ûŸ > D0 50 B2 FB 9F 01 00 00 00 F7 B1 FB 9F 01 00 00
{96} normal block at 0x0000019FFBB1FE20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000019FFBB1DEE0, 16 bytes long.
Data: <0ã°ûŸ > 30 E3 B0 FB 9F 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000019FFBB0E330, 40 bytes long.
Data: <àÞ±ûŸ þ±ûŸ > E0 DE B1 FB 9F 01 00 00 20 FE B1 FB 9F 01 00 00
{73} normal block at 0x0000019FFBB1D210, 16 bytes long.
Data: < êÎCö > 80 EA CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019FFBB1D1C0, 16 bytes long.
Data: <@éÎCö > 40 E9 CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019FFBB1D3A0, 16 bytes long.
Data: <øWËCö > F8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019FFBB1E070, 16 bytes long.
Data: <ØWËCö > D8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019FFBB1D5D0, 16 bytes long.
Data: <P ËCö > 50 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019FFBB1D760, 16 bytes long.
Data: <0 ËCö > 30 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019FFBB1D710, 16 bytes long.
Data: <à ËCö > E0 02 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019FFBB1DB70, 16 bytes long.
Data: < ËCö > 10 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019FFBB1D850, 16 bytes long.
Data: <p ËCö > 70 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019FFBB1D670, 16 bytes long.
Data: < ÀÉCö > 18 C0 C9 43 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra