Task 38681243
| Name | test_127-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3164_1 |
| Workunit | 31622630 |
| Created | 27 Oct 2026, 3:14:18 UTC |
| Sent | 27 Oct 2026, 3:14:26 UTC |
| Report deadline | 1 Nov 2026, 3:14:26 UTC |
| Received | 27 Oct 2026, 3:50:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 25 min 2 sec |
| CPU time | 20 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.57 MB |
| Peak swap size | 10.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
23:26:41 (15468): wrapper (7.9.26016): starting
23:26:41 (15468): 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
23:26:42 (15468): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:26:42 (15468): 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\24\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\24\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
23:50:31 (15468): C:/Windows/system32/cmd.exe exited; CPU time 1245.718750
23:50:31 (15468): 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: 38402641 bytes.
Dumping objects ->
{3835602} normal block at 0x000001DCC463F3C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835591} normal block at 0x000001DCC463FA50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835580} normal block at 0x000001DCC463FEB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835569} normal block at 0x000001DCC2906790, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x000001DCC2906D40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835527} normal block at 0x000001DCC468D390, 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) : {3835514} normal block at 0x000001DCC28FC570, 8 bytes long.
Data: < ÂÜ > 00 00 88 C2 DC 01 00 00
{3833973} normal block at 0x000001DCC28FC930, 8 bytes long.
Data: < rnÄÜ > 00 72 6E C4 DC 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001DCC29028E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001DCC28F85A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001DCC2907860, 16 bytes long.
Data: <è† ÂÜ > E8 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001DCC2908260, 16 bytes long.
Data: <À† ÂÜ > C0 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001DCC2900AF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001DCC2907450, 16 bytes long.
Data: < † ÂÜ > 98 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DCC2908350, 16 bytes long.
Data: <p† ÂÜ > 70 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DCC2907D60, 16 bytes long.
Data: <H† ÂÜ > 48 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DCC2907540, 16 bytes long.
Data: < † ÂÜ > 20 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DCC2906950, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001DCC2907810, 16 bytes long.
Data: <ØúŽÂÜ > D8 FA 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DCC2900A30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001DCC2907CC0, 16 bytes long.
Data: <°úŽÂÜ > B0 FA 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DCC2908170, 16 bytes long.
Data: < úŽÂÜ > 88 FA 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DCC2907630, 16 bytes long.
Data: <`úŽÂÜ > 60 FA 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DCC2907F90, 16 bytes long.
Data: <8úŽÂÜ > 38 FA 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DCC2907400, 16 bytes long.
Data: < úŽÂÜ > 10 FA 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DCC2908300, 16 bytes long.
Data: <èùŽÂÜ > E8 F9 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DCC2900370, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001DCC29079F0, 16 bytes long.
Data: <ÀùŽÂÜ > C0 F9 8E C2 DC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DCC28EF9C0, 320 bytes long.
Data: <ðy ÂÜ p ÂÜ > F0 79 90 C2 DC 01 00 00 70 03 90 C2 DC 01 00 00
{282} normal block at 0x000001DCC29077C0, 16 bytes long.
Data: < † ÂÜ > 00 86 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DCC2907B30, 16 bytes long.
Data: <Ø… ÂÜ > D8 85 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DCC2900C10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001DCC29079A0, 16 bytes long.
Data: <°… ÂÜ > B0 85 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DCC2900910, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001DCC2907C70, 16 bytes long.
Data: <ø„ ÂÜ > F8 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DCC2907A40, 16 bytes long.
Data: <Є ÂÜ > D0 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DCC2907AE0, 16 bytes long.
Data: <¨„ ÂÜ > A8 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DCC2907F40, 16 bytes long.
Data: < „ ÂÜ > 80 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DCC2907D10, 16 bytes long.
Data: <X„ ÂÜ > 58 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DCC29076D0, 16 bytes long.
Data: <0„ ÂÜ > 30 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DCC2907EF0, 16 bytes long.
Data: <ph ÂÜ > 70 68 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DCC2906870, 40 bytes long.
Data: <ð~ ÂÜ ÓhÄÜ > F0 7E 90 C2 DC 01 00 00 90 D3 68 C4 DC 01 00 00
{268} normal block at 0x000001DCC29074F0, 16 bytes long.
Data: < „ ÂÜ > 10 84 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DCC2908120, 16 bytes long.
Data: <èƒ ÂÜ > E8 83 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DCC29004F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001DCC29082B0, 16 bytes long.
Data: <Àƒ ÂÜ > C0 83 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DCC29083C0, 992 bytes long.
Data: <°‚ ÂÜ ð ÂÜ > B0 82 90 C2 DC 01 00 00 F0 04 90 C2 DC 01 00 00
{100} normal block at 0x000001DCC2900490, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001DCC28FC2F0, 16 bytes long.
Data: <°f ÂÜ > B0 66 90 C2 DC 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001DCC29066B0, 40 bytes long.
Data: <ð ÂÜ ÂÜ > F0 C2 8F C2 DC 01 00 00 90 04 90 C2 DC 01 00 00
{77} normal block at 0x000001DCC28FC7F0, 16 bytes long.
Data: < ê"U÷ > 80 EA 22 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001DCC28FC1B0, 16 bytes long.
Data: <@é"U÷ > 40 E9 22 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001DCC28FC110, 16 bytes long.
Data: <øW U÷ > F8 57 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001DCC28FC8E0, 16 bytes long.
Data: <ØW U÷ > D8 57 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001DCC28FC3E0, 16 bytes long.
Data: <P U÷ > 50 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001DCC28FBFD0, 16 bytes long.
Data: <0 U÷ > 30 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DCC28FC890, 16 bytes long.
Data: <à U÷ > E0 02 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DCC28FBC60, 16 bytes long.
Data: < U÷ > 10 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DCC28FC5C0, 16 bytes long.
Data: <p U÷ > 70 04 1F 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DCC28FBD00, 16 bytes long.
Data: < À U÷ > 18 C0 1D 55 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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