Task 38692356
| Name | test_1894-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5470_1 |
| Workunit | 31606453 |
| Created | 29 Oct 2026, 21:35:26 UTC |
| Sent | 29 Oct 2026, 21:35:30 UTC |
| Report deadline | 3 Nov 2026, 21:35:30 UTC |
| Received | 29 Oct 2026, 21:54:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651312 |
| Run time | 18 min 38 sec |
| CPU time | 17 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,279.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.87 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:36:16 (3428): wrapper (7.9.26016): starting
16:36:16 (3428): 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
16:36:17 (3428): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:36:17 (3428): 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\19\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\19\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
16:54:13 (3428): C:/Windows/system32/cmd.exe exited; CPU time 1060.656250
16:54:13 (3428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 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: 23275365 bytes.
Dumping objects ->
{3835291} normal block at 0x00000203255DCFF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835280} normal block at 0x00000203255DCF80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x00000203255DCD50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835258} normal block at 0x0000020323944850, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x0000020323944770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835216} normal block at 0x0000020325625240, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x00000203239900C0, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835202} normal block at 0x000002032393F6B0, 8 bytes long.
Data: < # > 00 00 8D 23 03 02 00 00
{3834579} normal block at 0x0000020323990330, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000002032393FF70, 8 bytes long.
Data: < ¤c% > 80 A4 63 25 03 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020323940C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020323936090, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000020323945B10, 16 bytes long.
Data: <(T”# > 28 54 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020323945C00, 16 bytes long.
Data: < T”# > 00 54 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002032393EAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000020323945DE0, 16 bytes long.
Data: <ØS”# > D8 53 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000203239457F0, 16 bytes long.
Data: <°S”# > B0 53 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000203239455C0, 16 bytes long.
Data: < S”# > 88 53 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020323945D90, 16 bytes long.
Data: <`S”# > 60 53 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020323944930, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000020323946010, 16 bytes long.
Data: <(ï’# > 28 EF 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002032393F440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000203239457A0, 16 bytes long.
Data: < ï’# > 00 EF 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020323945A20, 16 bytes long.
Data: <Øî’# > D8 EE 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020323945CF0, 16 bytes long.
Data: <°î’# > B0 EE 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020323945750, 16 bytes long.
Data: < î’# > 88 EE 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020323946470, 16 bytes long.
Data: <`î’# > 60 EE 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020323946380, 16 bytes long.
Data: <8î’# > 38 EE 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002032393F200, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000020323945F20, 16 bytes long.
Data: < î’# > 10 EE 92 23 03 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002032392EE10, 320 bytes long.
Data: < _”# ò“# > 20 5F 94 23 03 02 00 00 00 F2 93 23 03 02 00 00
{274} normal block at 0x0000020323946330, 16 bytes long.
Data: <@S”# > 40 53 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020323945BB0, 16 bytes long.
Data: < S”# > 18 53 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002032393E660, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000020323945AC0, 16 bytes long.
Data: <ðR”# > F0 52 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002032393F020, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000020323945F70, 16 bytes long.
Data: <8R”# > 38 52 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020323945700, 16 bytes long.
Data: < R”# > 10 52 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020323945E80, 16 bytes long.
Data: <èQ”# > E8 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020323945D40, 16 bytes long.
Data: <ÀQ”# > C0 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002032393FE80, 16 bytes long.
Data: < Q”# > 98 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002032393FE30, 16 bytes long.
Data: <pQ”# > 70 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020323940510, 16 bytes long.
Data: < F”# > 20 46 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020323944620, 40 bytes long.
Data: < ”# @Rb% > 10 05 94 23 03 02 00 00 40 52 62 25 03 02 00 00
{260} normal block at 0x000002032393F7A0, 16 bytes long.
Data: <PQ”# > 50 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020323940470, 16 bytes long.
Data: <(Q”# > 28 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002032393EFC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002032393F660, 16 bytes long.
Data: < Q”# > 00 51 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020323945100, 992 bytes long.
Data: <`ö“# Àï“# > 60 F6 93 23 03 02 00 00 C0 EF 93 23 03 02 00 00
{92} normal block at 0x000002032393E8A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002032393FD90, 16 bytes long.
Data: <ÀH”# > C0 48 94 23 03 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000203239448C0, 40 bytes long.
Data: < ý“#  è“# > 90 FD 93 23 03 02 00 00 A0 E8 93 23 03 02 00 00
{69} normal block at 0x0000020323940150, 16 bytes long.
Data: < ê/1÷ > 80 EA 2F 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020323940290, 16 bytes long.
Data: <@é/1÷ > 40 E9 2F 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002032393FD40, 16 bytes long.
Data: <øW,1÷ > F8 57 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002032393F700, 16 bytes long.
Data: <ØW,1÷ > D8 57 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000203239400B0, 16 bytes long.
Data: <P ,1÷ > 50 04 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002032393FCF0, 16 bytes long.
Data: <0 ,1÷ > 30 04 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020323940420, 16 bytes long.
Data: <à ,1÷ > E0 02 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002032393FCA0, 16 bytes long.
Data: < ,1÷ > 10 04 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000203239401F0, 16 bytes long.
Data: <p ,1÷ > 70 04 2C 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002032393FB60, 16 bytes long.
Data: < À*1÷ > 18 C0 2A 31 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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