Task 38671959
| Name | test_192-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2094_0 |
| Workunit | 31614137 |
| Created | 25 Oct 2026, 22:03:17 UTC |
| Sent | 25 Oct 2026, 22:03:24 UTC |
| Report deadline | 30 Oct 2026, 22:03:24 UTC |
| Received | 25 Oct 2026, 22:27:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648120 |
| Run time | 22 min 49 sec |
| CPU time | 18 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 753.67 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:04:27 (41436): wrapper (7.9.26016): starting
23:04:27 (41436): 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
23:04:28 (41436): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:04:28 (41436): 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\31\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\31\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
23:26:32 (41436): C:/Windows/system32/cmd.exe exited; CPU time 1082.875000
23:26:32 (41436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 34555229 bytes.
Dumping objects ->
{3835618} normal block at 0x000002C9F3DCD310, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835607} normal block at 0x000002C9F3DCCA50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835596} normal block at 0x000002C9F21248C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835585} normal block at 0x000002C9F2124850, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835574} normal block at 0x000002C9F2124770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835543} normal block at 0x000002C9F3E13BC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835532} normal block at 0x000002C9F3E2E5B0, 102 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) : {3835529} normal block at 0x000002C9F211F140, 8 bytes long.
Data: < òÉ > 00 00 0A F2 C9 02 00 00
{3834721} normal block at 0x000002C9F3E2EBE0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000002C9F211ED30, 8 bytes long.
Data: <°ãÒóÉ > B0 E3 D2 F3 C9 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002C9F2121110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002C9F21168B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002C9F2126230, 16 bytes long.
Data: <hf òÉ > 68 66 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002C9F2125A10, 16 bytes long.
Data: <@f òÉ > 40 66 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002C9F211FBA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002C9F21261E0, 16 bytes long.
Data: < f òÉ > 18 66 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C9F21259C0, 16 bytes long.
Data: <ðe òÉ > F0 65 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C9F2125560, 16 bytes long.
Data: <Èe òÉ > C8 65 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C9F21256F0, 16 bytes long.
Data: < e òÉ > A0 65 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C9F2124E70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002C9F21253D0, 16 bytes long.
Data: < µ òÉ > 88 B5 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C9F211FA80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002C9F21260A0, 16 bytes long.
Data: <`µ òÉ > 60 B5 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C9F2125600, 16 bytes long.
Data: <8µ òÉ > 38 B5 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C9F2126190, 16 bytes long.
Data: < µ òÉ > 10 B5 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C9F21260F0, 16 bytes long.
Data: <è´ òÉ > E8 B4 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C9F21262D0, 16 bytes long.
Data: <À´ òÉ > C0 B4 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C9F2125380, 16 bytes long.
Data: < ´ òÉ > 98 B4 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C9F211FAE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002C9F2125970, 16 bytes long.
Data: <p´ òÉ > 70 B4 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C9F210B470, 320 bytes long.
Data: <pY òÉ àú òÉ > 70 59 12 F2 C9 02 00 00 E0 FA 11 F2 C9 02 00 00
{277} normal block at 0x000002C9F21256A0, 16 bytes long.
Data: < e òÉ > 80 65 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C9F2125510, 16 bytes long.
Data: <Xe òÉ > 58 65 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C9F21202C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002C9F21258D0, 16 bytes long.
Data: <0e òÉ > 30 65 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C9F2120140, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002C9F2125A60, 16 bytes long.
Data: <xd òÉ > 78 64 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C9F2125420, 16 bytes long.
Data: <Pd òÉ > 50 64 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C9F21254C0, 16 bytes long.
Data: <(d òÉ > 28 64 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C9F2125470, 16 bytes long.
Data: < d òÉ > 00 64 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C9F2125DD0, 16 bytes long.
Data: <Øc òÉ > D8 63 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C9F2125880, 16 bytes long.
Data: <°c òÉ > B0 63 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C9F2126140, 16 bytes long.
Data: < I òÉ > A0 49 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C9F21249A0, 40 bytes long.
Data: <@a òÉ À;áóÉ > 40 61 12 F2 C9 02 00 00 C0 3B E1 F3 C9 02 00 00
{263} normal block at 0x000002C9F21257E0, 16 bytes long.
Data: < c òÉ > 90 63 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C9F2125E70, 16 bytes long.
Data: <hc òÉ > 68 63 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C9F211FF60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002C9F2126280, 16 bytes long.
Data: <@c òÉ > 40 63 12 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C9F2126340, 992 bytes long.
Data: < b òÉ `ÿ òÉ > 80 62 12 F2 C9 02 00 00 60 FF 11 F2 C9 02 00 00
{95} normal block at 0x000002C9F211FF00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002C9F211F320, 16 bytes long.
Data: <°Ó òÉ > B0 D3 10 F2 C9 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002C9F210D3B0, 40 bytes long.
Data: < ó òÉ ÿ òÉ > 20 F3 11 F2 C9 02 00 00 00 FF 11 F2 C9 02 00 00
{72} normal block at 0x000002C9F211E970, 16 bytes long.
Data: < ê†Èö > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002C9F211F410, 16 bytes long.
Data: <@é†Èö > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002C9F211F190, 16 bytes long.
Data: <øWƒÈö > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002C9F211E880, 16 bytes long.
Data: <ØWƒÈö > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002C9F211EE20, 16 bytes long.
Data: <P ƒÈö > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C9F211F0A0, 16 bytes long.
Data: <0 ƒÈö > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C9F211EB50, 16 bytes long.
Data: <à ƒÈö > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C9F211EA60, 16 bytes long.
Data: < ƒÈö > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002C9F211F2D0, 16 bytes long.
Data: <p ƒÈö > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002C9F211F280, 16 bytes long.
Data: < À Èö > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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