Task 38665167
| Name | test_651-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8236_0 |
| Workunit | 31608287 |
| Created | 25 Oct 2026, 0:46:24 UTC |
| Sent | 25 Oct 2026, 0:56:13 UTC |
| Report deadline | 30 Oct 2026, 0:56:13 UTC |
| Received | 25 Oct 2026, 5:32:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 634205 |
| Run time | 1 hours 18 min 58 sec |
| CPU time | 1 hours 16 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 769.81 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
15:14:24 (26936): wrapper (7.9.26016): starting
15:14:24 (26936): 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
15:14:27 (26936): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:14:27 (26936): 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\3\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\3\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
16:31:34 (26936): C:/Windows/system32/cmd.exe exited; CPU time 4603.171875
16:31:34 (26936): 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: 96922353 bytes.
Dumping objects ->
{3835521} normal block at 0x000001FDABA78A80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x000001FDABA79650, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x000001FDABA78E00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835488} normal block at 0x000001FDABA79260, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x000001FDABA79420, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835446} normal block at 0x000001FDAD729860, 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) : {3835433} normal block at 0x000001FDABA50C20, 8 bytes long.
Data: < œ«ý > 00 00 9C AB FD 01 00 00
{3833971} normal block at 0x000001FDABA514E0, 8 bytes long.
Data: < åc­ý > 80 E5 63 AD FD 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FDABA46240, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001FDABA47450, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001FDABA55E70, 16 bytes long.
Data: < f¥«ý > 18 66 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FDABA55380, 16 bytes long.
Data: <ðe¥«ý > F0 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001FDABA4FA80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001FDABA55B50, 16 bytes long.
Data: <Èe¥«ý > C8 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FDABA55B00, 16 bytes long.
Data: < e¥«ý > A0 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FDABA55AB0, 16 bytes long.
Data: <xe¥«ý > 78 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FDABA55880, 16 bytes long.
Data: <Pe¥«ý > 50 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FDABA4E3A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001FDABA55A60, 16 bytes long.
Data: <8 ¤«ý > 38 02 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FDABA506E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001FDABA55560, 16 bytes long.
Data: < ¤«ý > 10 02 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FDABA55A10, 16 bytes long.
Data: <è ¤«ý > E8 01 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FDABA554C0, 16 bytes long.
Data: <À ¤«ý > C0 01 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FDABA55F60, 16 bytes long.
Data: < ¤«ý > 98 01 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FDABA555B0, 16 bytes long.
Data: <p ¤«ý > 70 01 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FDABA55510, 16 bytes long.
Data: <H ¤«ý > 48 01 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FDABA50140, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001FDABA55C90, 16 bytes long.
Data: < ¤«ý > 20 01 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FDABA40120, 320 bytes long.
Data: < \¥«ý @ ¥«ý > 90 5C A5 AB FD 01 00 00 40 01 A5 AB FD 01 00 00
{281} normal block at 0x000001FDABA560F0, 16 bytes long.
Data: <0e¥«ý > 30 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FDABA55D30, 16 bytes long.
Data: < e¥«ý > 08 65 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FDABA50440, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001FDABA55650, 16 bytes long.
Data: <àd¥«ý > E0 64 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FDABA4FBA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001FDABA55970, 16 bytes long.
Data: <(d¥«ý > 28 64 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FDABA55EC0, 16 bytes long.
Data: < d¥«ý > 00 64 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FDABA55330, 16 bytes long.
Data: <Øc¥«ý > D8 63 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FDABA55920, 16 bytes long.
Data: <°c¥«ý > B0 63 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FDABA56230, 16 bytes long.
Data: < c¥«ý > 88 63 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FDABA56280, 16 bytes long.
Data: <`c¥«ý > 60 63 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FDABA561E0, 16 bytes long.
Data: < 䤫ý > 80 E4 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FDABA4E480, 40 bytes long.
Data: <àa¥«ý ` r­ý > E0 61 A5 AB FD 01 00 00 60 98 72 AD FD 01 00 00
{267} normal block at 0x000001FDABA55CE0, 16 bytes long.
Data: <@c¥«ý > 40 63 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FDABA560A0, 16 bytes long.
Data: < c¥«ý > 18 63 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FDABA503E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001FDABA55470, 16 bytes long.
Data: <ðb¥«ý > F0 62 A5 AB FD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FDABA562F0, 992 bytes long.
Data: <pT¥«ý à ¥«ý > 70 54 A5 AB FD 01 00 00 E0 03 A5 AB FD 01 00 00
{99} normal block at 0x000001FDABA4FAE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001FDABA50F40, 16 bytes long.
Data: <p褫ý > 70 E8 A4 AB FD 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001FDABA4E870, 40 bytes long.
Data: <@ ¥«ý àú¤«ý > 40 0F A5 AB FD 01 00 00 E0 FA A4 AB FD 01 00 00
{76} normal block at 0x000001FDABA509F0, 16 bytes long.
Data: < ês·÷ > 80 EA 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001FDABA510D0, 16 bytes long.
Data: <@és·÷ > 40 E9 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001FDABA513F0, 16 bytes long.
Data: <øWp·÷ > F8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FDABA51580, 16 bytes long.
Data: <ØWp·÷ > D8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FDABA508B0, 16 bytes long.
Data: <P p·÷ > 50 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FDABA51030, 16 bytes long.
Data: <0 p·÷ > 30 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FDABA509A0, 16 bytes long.
Data: <à p·÷ > E0 02 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FDABA51080, 16 bytes long.
Data: < p·÷ > 10 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FDABA50DB0, 16 bytes long.
Data: <p p·÷ > 70 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FDABA50EA0, 16 bytes long.
Data: < Àn·÷ > 18 C0 6E B7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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