Task 38684823
| Name | test_410-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND0092_0 |
| Workunit | 31626324 |
| Created | 27 Oct 2026, 18:10:15 UTC |
| Sent | 27 Oct 2026, 18:10:21 UTC |
| Report deadline | 1 Nov 2026, 18:10:21 UTC |
| Received | 27 Oct 2026, 18:28:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609285 |
| Run time | 17 min 52 sec |
| CPU time | 15 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 111,632.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.07 MB |
| Peak swap size | 13.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:11:33 (8664): wrapper (7.9.26016): starting
11:11:33 (8664): 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
11:11:34 (8664): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:11:34 (8664): 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\28\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\28\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
11:28:32 (8664): C:/Windows/system32/cmd.exe exited; CPU time 957.656250
11:28:32 (8664): 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: 22407431 bytes.
Dumping objects ->
{3835205} normal block at 0x000001A183246140, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001A1832460D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000001A183245F10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835172} normal block at 0x000001A183245EA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x000001A183245D50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835130} normal block at 0x000001A185115E90, 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) : {3835117} normal block at 0x000001A18323E020, 8 bytes long.
Data: < xƒ¡ > 00 00 78 83 A1 01 00 00
{3833967} normal block at 0x000001A18323E390, 8 bytes long.
Data: <`ë1ƒ¡ > 60 EB 31 83 A1 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A183241BE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001A183237790, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001A183246A90, 16 bytes long.
Data: <hy$ƒ¡ > 68 79 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001A183246A40, 16 bytes long.
Data: <@y$ƒ¡ > 40 79 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A183240210, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001A1832469A0, 16 bytes long.
Data: < y$ƒ¡ > 18 79 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A1832469F0, 16 bytes long.
Data: <ðx$ƒ¡ > F0 78 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A183246950, 16 bytes long.
Data: <Èx$ƒ¡ > C8 78 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A183247210, 16 bytes long.
Data: < x$ƒ¡ > A0 78 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A183245DC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001A183246770, 16 bytes long.
Data: < c$ƒ¡ > 88 63 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A18323F9D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001A183247260, 16 bytes long.
Data: <`c$ƒ¡ > 60 63 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A1832475D0, 16 bytes long.
Data: <8c$ƒ¡ > 38 63 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A1832471C0, 16 bytes long.
Data: < c$ƒ¡ > 10 63 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A1832474E0, 16 bytes long.
Data: <èb$ƒ¡ > E8 62 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A183247170, 16 bytes long.
Data: <Àb$ƒ¡ > C0 62 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A1832468B0, 16 bytes long.
Data: < b$ƒ¡ > 98 62 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A1832404B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001A183246900, 16 bytes long.
Data: <pb$ƒ¡ > 70 62 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A183246270, 320 bytes long.
Data: < i$ƒ¡ ° $ƒ¡ > 00 69 24 83 A1 01 00 00 B0 04 24 83 A1 01 00 00
{279} normal block at 0x000001A183246720, 16 bytes long.
Data: < x$ƒ¡ > 80 78 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A1832466D0, 16 bytes long.
Data: <Xx$ƒ¡ > 58 78 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A1832403F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001A183247490, 16 bytes long.
Data: <0x$ƒ¡ > 30 78 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A183240150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001A183246810, 16 bytes long.
Data: <xw$ƒ¡ > 78 77 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A1832467C0, 16 bytes long.
Data: <Pw$ƒ¡ > 50 77 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A183246CC0, 16 bytes long.
Data: <(w$ƒ¡ > 28 77 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A183247440, 16 bytes long.
Data: < w$ƒ¡ > 00 77 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A183246680, 16 bytes long.
Data: <Øv$ƒ¡ > D8 76 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A183246860, 16 bytes long.
Data: <°v$ƒ¡ > B0 76 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A1832473F0, 16 bytes long.
Data: <°a$ƒ¡ > B0 61 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A1832461B0, 40 bytes long.
Data: <ðs$ƒ¡ ^ …¡ > F0 73 24 83 A1 01 00 00 90 5E 11 85 A1 01 00 00
{265} normal block at 0x000001A183247350, 16 bytes long.
Data: < v$ƒ¡ > 90 76 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A183247580, 16 bytes long.
Data: <hv$ƒ¡ > 68 76 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A183240390, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001A1832473A0, 16 bytes long.
Data: <@v$ƒ¡ > 40 76 24 83 A1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A183247640, 992 bytes long.
Data: < s$ƒ¡ $ƒ¡ > A0 73 24 83 A1 01 00 00 90 03 24 83 A1 01 00 00
{97} normal block at 0x000001A1832400F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001A18323DFD0, 16 bytes long.
Data: <@ö"ƒ¡ > 40 F6 22 83 A1 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001A18322F640, 40 bytes long.
Data: <Ðß#ƒ¡ ð $ƒ¡ > D0 DF 23 83 A1 01 00 00 F0 00 24 83 A1 01 00 00
{74} normal block at 0x000001A18323DEE0, 16 bytes long.
Data: < ê.)ö > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001A18323DF80, 16 bytes long.
Data: <@é.)ö > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A18323E520, 16 bytes long.
Data: <øW+)ö > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A18323E1B0, 16 bytes long.
Data: <ØW+)ö > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A18323E4D0, 16 bytes long.
Data: <P +)ö > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A18323E110, 16 bytes long.
Data: <0 +)ö > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A18323E0C0, 16 bytes long.
Data: <à +)ö > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A18323E340, 16 bytes long.
Data: < +)ö > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A18323E610, 16 bytes long.
Data: <p +)ö > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A18323DE90, 16 bytes long.
Data: < À))ö > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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