Task 38682425
| Name | test_584-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7613_0 |
| Workunit | 31624039 |
| Created | 27 Oct 2026, 7:45:31 UTC |
| Sent | 27 Oct 2026, 7:45:36 UTC |
| Report deadline | 1 Nov 2026, 7:45:36 UTC |
| Received | 27 Oct 2026, 8:22:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 20 min 57 sec |
| CPU time | 18 min 22 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 | 759.89 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>
04:00:29 (17780): wrapper (7.9.26016): starting
04:00:29 (17780): 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
04:00:30 (17780): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:00:30 (17780): 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\6\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\6\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
04:20:30 (17780): C:/Windows/system32/cmd.exe exited; CPU time 1102.953125
04:20:30 (17780): 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: 31395853 bytes.
Dumping objects ->
{3835602} normal block at 0x000001DD79DF9A70, 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 0x000001DD79DF9D10, 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 0x000001DD79DF91B0, 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 0x000001DD77F78A10, 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 0x000001DD77F789A0, 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 0x000001DD79D6A830, 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 0x000001DD77F6D410, 8 bytes long.
Data: < YxÝ > 00 00 59 78 DD 01 00 00
{3833973} normal block at 0x000001DD77F6D910, 8 bytes long.
Data: < ƒßyÝ > 80 83 DF 79 DD 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001DD77F726A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001DD77F692D0, 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 0x000001DD77F79120, 16 bytes long.
Data: <hD÷wÝ > 68 44 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001DD77F798A0, 16 bytes long.
Data: <@D÷wÝ > 40 44 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001DD77F75400, 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 0x000001DD77F79350, 16 bytes long.
Data: < D÷wÝ > 18 44 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DD77F79490, 16 bytes long.
Data: <ðC÷wÝ > F0 43 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DD77F79800, 16 bytes long.
Data: <ÈC÷wÝ > C8 43 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DD77F792B0, 16 bytes long.
Data: < C÷wÝ > A0 43 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DD77F78D20, 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 0x000001DD77F79170, 16 bytes long.
Data: <xÂöwÝ > 78 C2 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DD77F753A0, 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 0x000001DD77F78F40, 16 bytes long.
Data: <PÂöwÝ > 50 C2 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DD77F78EF0, 16 bytes long.
Data: <(ÂöwÝ > 28 C2 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DD77F79300, 16 bytes long.
Data: < ÂöwÝ > 00 C2 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DD77F78F90, 16 bytes long.
Data: <ØÁöwÝ > D8 C1 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DD77F79030, 16 bytes long.
Data: <°ÁöwÝ > B0 C1 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DD77F79670, 16 bytes long.
Data: < ÁöwÝ > 88 C1 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DD77F757C0, 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 0x000001DD77F791C0, 16 bytes long.
Data: <`ÁöwÝ > 60 C1 F6 77 DD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DD77F6C160, 320 bytes long.
Data: <À‘÷wÝ ÀW÷wÝ > C0 91 F7 77 DD 01 00 00 C0 57 F7 77 DD 01 00 00
{282} normal block at 0x000001DD77F798F0, 16 bytes long.
Data: < C÷wÝ > 80 43 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DD77F79D00, 16 bytes long.
Data: <XC÷wÝ > 58 43 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DD77F75760, 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 0x000001DD77F79620, 16 bytes long.
Data: <0C÷wÝ > 30 43 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DD77F75340, 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 0x000001DD77F790D0, 16 bytes long.
Data: <xB÷wÝ > 78 42 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DD77F79440, 16 bytes long.
Data: <PB÷wÝ > 50 42 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DD77F795D0, 16 bytes long.
Data: <(B÷wÝ > 28 42 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DD77F796C0, 16 bytes long.
Data: < B÷wÝ > 00 42 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DD77F78FE0, 16 bytes long.
Data: <ØA÷wÝ > D8 41 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DD77F79260, 16 bytes long.
Data: <°A÷wÝ > B0 41 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DD77F79850, 16 bytes long.
Data: <à‡÷wÝ > E0 87 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DD77F787E0, 40 bytes long.
Data: <P ÷wÝ 0¨ÖyÝ > 50 98 F7 77 DD 01 00 00 30 A8 D6 79 DD 01 00 00
{268} normal block at 0x000001DD77F79210, 16 bytes long.
Data: < A÷wÝ > 90 41 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DD77F79990, 16 bytes long.
Data: <hA÷wÝ > 68 41 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DD77F75040, 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 0x000001DD77F793F0, 16 bytes long.
Data: <@A÷wÝ > 40 41 F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DD77F74140, 992 bytes long.
Data: <ð“÷wÝ @P÷wÝ > F0 93 F7 77 DD 01 00 00 40 50 F7 77 DD 01 00 00
{100} normal block at 0x000001DD77F75E20, 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 0x000001DD77F6E310, 16 bytes long.
Data: <@Œ÷wÝ > 40 8C F7 77 DD 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001DD77F78C40, 40 bytes long.
Data: < ãöwÝ ^÷wÝ > 10 E3 F6 77 DD 01 00 00 20 5E F7 77 DD 01 00 00
{77} normal block at 0x000001DD77F6D730, 16 bytes long.
Data: < êê%ö > 80 EA EA 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001DD77F6D5F0, 16 bytes long.
Data: <@éê%ö > 40 E9 EA 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001DD77F6D6E0, 16 bytes long.
Data: <øWç%ö > F8 57 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001DD77F6D3C0, 16 bytes long.
Data: <ØWç%ö > D8 57 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001DD77F6DC30, 16 bytes long.
Data: <P ç%ö > 50 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001DD77F6DE10, 16 bytes long.
Data: <0 ç%ö > 30 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DD77F6D870, 16 bytes long.
Data: <à ç%ö > E0 02 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DD77F6E1D0, 16 bytes long.
Data: < ç%ö > 10 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DD77F6DF00, 16 bytes long.
Data: <p ç%ö > 70 04 E7 25 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DD77F6E130, 16 bytes long.
Data: < Àå%ö > 18 C0 E5 25 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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