Task 38687845
| Name | test_163-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2144_0 |
| Workunit | 31629219 |
| Created | 28 Oct 2026, 10:07:48 UTC |
| Sent | 28 Oct 2026, 10:07:52 UTC |
| Report deadline | 2 Nov 2026, 10:07:52 UTC |
| Received | 28 Oct 2026, 10:51:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646373 |
| Run time | 34 min 12 sec |
| CPU time | 30 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.03 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:17:01 (14524): wrapper (7.9.26016): starting
06:17:01 (14524): 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
06:17:02 (14524): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:17:02 (14524): 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
06:50:34 (14524): C:/Windows/system32/cmd.exe exited; CPU time 1833.968750
06:50:34 (14524): 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: 28553723 bytes.
Dumping objects ->
{3835514} normal block at 0x000002BD55945EB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x000002BD55945D60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835492} normal block at 0x000002BD55945CF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835481} normal block at 0x000002BD55945B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x000002BD55945AC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835439} normal block at 0x000002BD57689780, 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) : {3835426} normal block at 0x000002BD5593FAA0, 8 bytes long.
Data: < ÙU½ > 00 00 D9 55 BD 02 00 00
{3833959} normal block at 0x000002BD5593FD20, 8 bytes long.
Data: <à.qW½ > E0 2E 71 57 BD 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002BD559415C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002BD55936AE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002BD559462B0, 16 bytes long.
Data: < s”U½ > 18 73 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BD55946030, 16 bytes long.
Data: <ðr”U½ > F0 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BD55940DD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002BD559461C0, 16 bytes long.
Data: <Èr”U½ > C8 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002BD55946A30, 16 bytes long.
Data: < r”U½ > A0 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BD559467B0, 16 bytes long.
Data: <xr”U½ > 78 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BD559460D0, 16 bytes long.
Data: <Pr”U½ > 50 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BD55945DD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002BD55946BC0, 16 bytes long.
Data: <hµ’U½ > 68 B5 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BD55940E30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002BD55946080, 16 bytes long.
Data: <@µ’U½ > 40 B5 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BD55946E90, 16 bytes long.
Data: < µ’U½ > 18 B5 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BD55946620, 16 bytes long.
Data: <ð´’U½ > F0 B4 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BD55946E40, 16 bytes long.
Data: <È´’U½ > C8 B4 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BD55946DA0, 16 bytes long.
Data: < ´’U½ > A0 B4 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BD55946F80, 16 bytes long.
Data: <x´’U½ > 78 B4 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BD55940710, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002BD55946260, 16 bytes long.
Data: <P´’U½ > 50 B4 92 55 BD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002BD5592B450, 320 bytes long.
Data: <`b”U½ ”U½ > 60 62 94 55 BD 02 00 00 10 07 94 55 BD 02 00 00
{275} normal block at 0x000002BD559469E0, 16 bytes long.
Data: <0r”U½ > 30 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BD55946440, 16 bytes long.
Data: < r”U½ > 08 72 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BD559406B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002BD55946760, 16 bytes long.
Data: <àq”U½ > E0 71 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BD55940830, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002BD55946B70, 16 bytes long.
Data: <(q”U½ > 28 71 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BD55946D00, 16 bytes long.
Data: < q”U½ > 00 71 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BD559465D0, 16 bytes long.
Data: <Øp”U½ > D8 70 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BD559468A0, 16 bytes long.
Data: <°p”U½ > B0 70 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BD55946210, 16 bytes long.
Data: < p”U½ > 88 70 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BD55946990, 16 bytes long.
Data: <`p”U½ > 60 70 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BD55946F30, 16 bytes long.
Data: < _”U½ > 20 5F 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BD55945F20, 40 bytes long.
Data: <0o”U½ —hW½ > 30 6F 94 55 BD 02 00 00 80 97 68 57 BD 02 00 00
{261} normal block at 0x000002BD55946EE0, 16 bytes long.
Data: <@p”U½ > 40 70 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BD55946DF0, 16 bytes long.
Data: < p”U½ > 18 70 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BD55940530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002BD55946C10, 16 bytes long.
Data: <ðo”U½ > F0 6F 94 55 BD 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002BD55946FF0, 992 bytes long.
Data: < l”U½ 0 ”U½ > 10 6C 94 55 BD 02 00 00 30 05 94 55 BD 02 00 00
{93} normal block at 0x000002BD55940CB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002BD5593FC30, 16 bytes long.
Data: <pó“U½ > 70 F3 93 55 BD 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002BD5593F370, 40 bytes long.
Data: <0ü“U½ ° ”U½ > 30 FC 93 55 BD 02 00 00 B0 0C 94 55 BD 02 00 00
{70} normal block at 0x000002BD5593F910, 16 bytes long.
Data: < ê ‹ö > 80 EA 11 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BD5593F960, 16 bytes long.
Data: <@é ‹ö > 40 E9 11 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BD5593F500, 16 bytes long.
Data: <øW ‹ö > F8 57 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BD5593F4B0, 16 bytes long.
Data: <ØW ‹ö > D8 57 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BD5593FDC0, 16 bytes long.
Data: <P ‹ö > 50 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BD5593F460, 16 bytes long.
Data: <0 ‹ö > 30 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BD559403B0, 16 bytes long.
Data: <à ‹ö > E0 02 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BD5593F730, 16 bytes long.
Data: < ‹ö > 10 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BD55940090, 16 bytes long.
Data: <p ‹ö > 70 04 0E 8B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BD5593FBE0, 16 bytes long.
Data: < À ‹ö > 18 C0 0C 8B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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