Task 38682119
| Name | test_45-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7240_0 |
| Workunit | 31623750 |
| Created | 27 Oct 2026, 6:38:41 UTC |
| Sent | 27 Oct 2026, 6:38:42 UTC |
| Report deadline | 1 Nov 2026, 6:38:42 UTC |
| Received | 27 Oct 2026, 7:48:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652906 |
| Run time | 33 min 48 sec |
| CPU time | 32 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.81 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:14:13 (9892): wrapper (7.9.26016): starting
03:14:13 (9892): 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
03:14:14 (9892): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:14:14 (9892): 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
03:48:05 (9892): C:/Windows/system32/cmd.exe exited; CPU time 1932.625000
03:48:05 (9892): 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: 45943135 bytes.
Dumping objects ->
{3835247} normal block at 0x000001B56C0DFC50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000001B56C0E03C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000001B56C0DFB70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835214} normal block at 0x000001B56C0DFE10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x000001B56C0E0970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835172} normal block at 0x000001B56C0D2870, 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) : {3835159} normal block at 0x000001B56C0D0560, 8 bytes long.
Data: < ækµ > 00 00 E6 6B B5 01 00 00
{3833953} normal block at 0x000001B56C0D0BF0, 8 bytes long.
Data: < Ú lµ > 90 DA 0B 6C B5 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001B56C0E1EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B56C0C7010, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001B56C0DF5B0, 16 bytes long.
Data: <Hù lµ > 48 F9 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B56C0DE660, 16 bytes long.
Data: < ù lµ > 20 F9 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B56C0D8A40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001B56C0DEE80, 16 bytes long.
Data: <øø lµ > F8 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B56C0DF2E0, 16 bytes long.
Data: <Ðø lµ > D0 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B56C0DEE30, 16 bytes long.
Data: <¨ø lµ > A8 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B56C0DF010, 16 bytes long.
Data: < ø lµ > 80 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B56C0E00B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001B56C0DED40, 16 bytes long.
Data: <x1 lµ > 78 31 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B56C0D92E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001B56C0DF560, 16 bytes long.
Data: <P1 lµ > 50 31 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B56C0DF510, 16 bytes long.
Data: <(1 lµ > 28 31 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B56C0DF290, 16 bytes long.
Data: < 1 lµ > 00 31 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B56C0DECF0, 16 bytes long.
Data: <Ø0 lµ > D8 30 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B56C0DF4C0, 16 bytes long.
Data: <°0 lµ > B0 30 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B56C0DECA0, 16 bytes long.
Data: < 0 lµ > 88 30 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B56C0D90A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001B56C0DEC50, 16 bytes long.
Data: <`0 lµ > 60 30 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B56C0D3060, 320 bytes long.
Data: <Pì lµ   lµ > 50 EC 0D 6C B5 01 00 00 A0 90 0D 6C B5 01 00 00
{272} normal block at 0x000001B56C0DF1F0, 16 bytes long.
Data: <`ø lµ > 60 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B56C0DF470, 16 bytes long.
Data: <8ø lµ > 38 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B56C0D87A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001B56C0DEC00, 16 bytes long.
Data: < ø lµ > 10 F8 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B56C0D8BC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001B56C0DEBB0, 16 bytes long.
Data: <X÷ lµ > 58 F7 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B56C0DEB60, 16 bytes long.
Data: <0÷ lµ > 30 F7 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B56C0DEB10, 16 bytes long.
Data: < ÷ lµ > 08 F7 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B56C0DEA20, 16 bytes long.
Data: <àö lµ > E0 F6 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B56C0DE8E0, 16 bytes long.
Data: <¸ö lµ > B8 F6 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B56C0DED90, 16 bytes long.
Data: < ö lµ > 90 F6 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B56C0DE890, 16 bytes long.
Data: < lµ > 20 08 0E 6C B5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B56C0E0820, 40 bytes long.
Data: < è lµ p( lµ > 90 E8 0D 6C B5 01 00 00 70 28 0D 6C B5 01 00 00
{258} normal block at 0x000001B56C0DF3D0, 16 bytes long.
Data: <pö lµ > 70 F6 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B56C0DF1A0, 16 bytes long.
Data: <Hö lµ > 48 F6 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B56C0D94C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001B56C0DE9D0, 16 bytes long.
Data: < ö lµ > 20 F6 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001B56C0DF620, 992 bytes long.
Data: <Ðé lµ À” lµ > D0 E9 0D 6C B5 01 00 00 C0 94 0D 6C B5 01 00 00
{90} normal block at 0x000001B56C0D8C20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001B56C0D05B0, 16 bytes long.
Data: <P lµ > 50 0E 0D 6C B5 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001B56C0D0E50, 40 bytes long.
Data: <° lµ Œ lµ > B0 05 0D 6C B5 01 00 00 20 8C 0D 6C B5 01 00 00
{67} normal block at 0x000001B56C0CFDE0, 16 bytes long.
Data: < ê©’÷ > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B56C0CFD90, 16 bytes long.
Data: <@é©’÷ > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B56C0D0470, 16 bytes long.
Data: <øW¦’÷ > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B56C0CFE80, 16 bytes long.
Data: <ØW¦’÷ > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B56C0D01A0, 16 bytes long.
Data: <P ¦’÷ > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B56C0D0BA0, 16 bytes long.
Data: <0 ¦’÷ > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B56C0D0100, 16 bytes long.
Data: <à ¦’÷ > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B56C0D06F0, 16 bytes long.
Data: < ¦’÷ > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B56C0D0B00, 16 bytes long.
Data: <p ¦’÷ > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B56C0D0010, 16 bytes long.
Data: < À¤’÷ > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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