Task 38668693
| Name | test_720-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7632_1 |
| Workunit | 31611117 |
| Created | 25 Oct 2026, 12:29:01 UTC |
| Sent | 25 Oct 2026, 12:29:20 UTC |
| Report deadline | 30 Oct 2026, 12:29:20 UTC |
| Received | 25 Oct 2026, 18:56:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654147 |
| Run time | 34 min 22 sec |
| CPU time | 31 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 697.98 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.90 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:20:09 (8868): wrapper (7.9.26016): starting
19:20:09 (8868): 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
19:20:11 (8868): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:20:11 (8868): 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\4\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\4\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
19:53:14 (8868): C:/Windows/system32/cmd.exe exited; CPU time 1899.531250
19:53:14 (8868): 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: 32619791 bytes.
Dumping objects ->
{3835197} normal block at 0x000001D5FEA2CC00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x000001D5FEA2C570, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001D5FE9D4780, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x000001D5FE9D4710, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x000001D5FE9D46A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x000001D5FF2A6980, 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) : {3835109} normal block at 0x000001D5FE9CFAC0, 8 bytes long.
Data: < èþÕ > 00 00 E8 FE D5 01 00 00
{3833959} normal block at 0x000001D5FE9D0330, 8 bytes long.
Data: < d0ÿÕ > 20 64 30 FF D5 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D5FE9CF280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D5FE9C5F40, 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 0x000001D5FE9D5EB0, 16 bytes long.
Data: <Øc þÕ > D8 63 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D5FE9D5FF0, 16 bytes long.
Data: <°c þÕ > B0 63 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D5FE9D11A0, 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 0x000001D5FE9D58C0, 16 bytes long.
Data: < c þÕ > 88 63 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D5FE9D5730, 16 bytes long.
Data: <`c þÕ > 60 63 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D5FE9D5CD0, 16 bytes long.
Data: <8c þÕ > 38 63 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D5FE9D5D70, 16 bytes long.
Data: < c þÕ > 10 63 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D5FE9D4A20, 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 0x000001D5FE9D56E0, 16 bytes long.
Data: < œþÕ > 88 8D 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D5FE9D09C0, 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 0x000001D5FE9D5460, 16 bytes long.
Data: <` œþÕ > 60 8D 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D5FE9D5960, 16 bytes long.
Data: <8 œþÕ > 38 8D 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D5FE9D5410, 16 bytes long.
Data: < œþÕ > 10 8D 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D5FE9D53C0, 16 bytes long.
Data: <茜þÕ > E8 8C 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D5FE9D5870, 16 bytes long.
Data: <ÀŒœþÕ > C0 8C 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D5FE9D5550, 16 bytes long.
Data: < ŒœþÕ > 98 8C 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D5FE9D0540, 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 0x000001D5FE9D5E60, 16 bytes long.
Data: <pŒœþÕ > 70 8C 9C FE D5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D5FE9C8C70, 320 bytes long.
Data: <`^ þÕ @ þÕ > 60 5E 9D FE D5 01 00 00 40 05 9D FE D5 01 00 00
{275} normal block at 0x000001D5FE9D59B0, 16 bytes long.
Data: <ðb þÕ > F0 62 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D5FE9D5370, 16 bytes long.
Data: <Èb þÕ > C8 62 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D5FE9D04E0, 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 0x000001D5FE9D5140, 16 bytes long.
Data: < b þÕ > A0 62 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D5FE9D0960, 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 0x000001D5FE9D5C80, 16 bytes long.
Data: <èa þÕ > E8 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D5FE9D5E10, 16 bytes long.
Data: <Àa þÕ > C0 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D5FE9D5820, 16 bytes long.
Data: < a þÕ > 98 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D5FE9D6040, 16 bytes long.
Data: <pa þÕ > 70 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D5FE9D5500, 16 bytes long.
Data: <Ha þÕ > 48 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D5FE9D5F00, 16 bytes long.
Data: < a þÕ > 20 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D5FE9D5B90, 16 bytes long.
Data: <àD þÕ > E0 44 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D5FE9D44E0, 40 bytes long.
Data: < [ þÕ i*ÿÕ > 90 5B 9D FE D5 01 00 00 80 69 2A FF D5 01 00 00
{261} normal block at 0x000001D5FE9D5910, 16 bytes long.
Data: < a þÕ > 00 61 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D5FE9D5A00, 16 bytes long.
Data: <Ø` þÕ > D8 60 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D5FE9D0F00, 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 0x000001D5FE9D50F0, 16 bytes long.
Data: <°` þÕ > B0 60 9D FE D5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D5FE9D60B0, 992 bytes long.
Data: <ðP þÕ þÕ > F0 50 9D FE D5 01 00 00 00 0F 9D FE D5 01 00 00
{93} normal block at 0x000001D5FE9D1320, 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 0x000001D5FE9D0290, 16 bytes long.
Data: <àä›þÕ > E0 E4 9B FE D5 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001D5FE9BE4E0, 40 bytes long.
Data: < þÕ þÕ > 90 02 9D FE D5 01 00 00 20 13 9D FE D5 01 00 00
{70} normal block at 0x000001D5FE9CF7A0, 16 bytes long.
Data: < êÆb÷ > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D5FE9CFF70, 16 bytes long.
Data: <@éÆb÷ > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D5FE9CFC00, 16 bytes long.
Data: <øWÃb÷ > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D5FE9D01F0, 16 bytes long.
Data: <ØWÃb÷ > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D5FE9CFB10, 16 bytes long.
Data: <P Ãb÷ > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D5FE9CF8E0, 16 bytes long.
Data: <0 Ãb÷ > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D5FE9D01A0, 16 bytes long.
Data: <à Ãb÷ > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D5FE9D02E0, 16 bytes long.
Data: < Ãb÷ > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D5FE9D0150, 16 bytes long.
Data: <p Ãb÷ > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D5FE9CFB60, 16 bytes long.
Data: < ÀÁb÷ > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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