Task 38647393
| Name | test_290-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND2941_0 |
| Workunit | 31592127 |
| Created | 23 Oct 2026, 20:08:02 UTC |
| Sent | 23 Oct 2026, 20:15:12 UTC |
| Report deadline | 28 Oct 2026, 20:15:12 UTC |
| Received | 23 Oct 2026, 21:31:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637827 |
| Run time | 43 min 58 sec |
| CPU time | 42 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.73 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:45:42 (2100): wrapper (7.9.26016): starting
23:45:42 (2100): 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
23:45:48 (2100): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:45:48 (2100): 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 'D:\BOINC_Projects\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 'D:\BOINC_Projects\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
00:29:50 (2100): C:/Windows/system32/cmd.exe exited; CPU time 2529.140625
00:29:50 (2100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 41665461 bytes.
Dumping objects ->
{3835241} normal block at 0x00000212C0867220, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{3835230} normal block at 0x00000212C24069E0, 32 bytes long.
Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{3835219} normal block at 0x00000212C2406500, 32 bytes long.
Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F
{3835208} normal block at 0x00000212C2406980, 32 bytes long.
Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{3835197} normal block at 0x00000212C0866420, 48 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835166} normal block at 0x00000212C08666C0, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x00000212C0836E70, 8 bytes long.
Data: < À > 00 00 7F C0 12 02 00 00
{3833953} normal block at 0x00000212C0836D80, 8 bytes long.
Data: <ð%4Â > F0 25 34 C2 12 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000212C0841C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000212C082B110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000212C0842EF0, 16 bytes long.
Data: <xA„À > 78 41 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000212C0842AE0, 16 bytes long.
Data: <PA„À > 50 41 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000212C083C660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000212C0842EA0, 16 bytes long.
Data: <(A„À > 28 41 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000212C0843990, 16 bytes long.
Data: < A„À > 00 41 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000212C08438A0, 16 bytes long.
Data: <Ø@„À > D8 40 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000212C08436C0, 16 bytes long.
Data: <°@„À > B0 40 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000212C083DE40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000212C0843620, 16 bytes long.
Data: < b‚À > 18 62 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000212C083BBE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000212C0843260, 16 bytes long.
Data: <ða‚À > F0 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000212C0843580, 16 bytes long.
Data: <Èa‚À > C8 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000212C0842E50, 16 bytes long.
Data: < a‚À > A0 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000212C0843800, 16 bytes long.
Data: <xa‚À > 78 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000212C0842CC0, 16 bytes long.
Data: <Pa‚À > 50 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000212C0843530, 16 bytes long.
Data: <(a‚À > 28 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000212C083BA00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000212C08435D0, 16 bytes long.
Data: < a‚À > 00 61 82 C0 12 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000212C0826100, 320 bytes long.
Data: <Ð5„À ºƒÀ > D0 35 84 C0 12 02 00 00 00 BA 83 C0 12 02 00 00
{272} normal block at 0x00000212C0843940, 16 bytes long.
Data: <@„À > 90 40 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000212C08437B0, 16 bytes long.
Data: <h@„À > 68 40 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000212C083BAC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000212C0843670, 16 bytes long.
Data: <@@„À > 40 40 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000212C083BA60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000212C0843760, 16 bytes long.
Data: < ?„À > 88 3F 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000212C08434E0, 16 bytes long.
Data: <`?„À > 60 3F 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000212C0843440, 16 bytes long.
Data: <8?„À > 38 3F 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000212C08431C0, 16 bytes long.
Data: < ?„À > 10 3F 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000212C08439E0, 16 bytes long.
Data: <è>„À > E8 3E 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000212C0843350, 16 bytes long.
Data: <À>„À > C0 3E 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000212C08438F0, 16 bytes long.
Data: < àƒÀ > 00 E0 83 C0 12 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000212C083E000, 40 bytes long.
Data: <ð8„À Àf†À > F0 38 84 C0 12 02 00 00 C0 66 86 C0 12 02 00 00
{258} normal block at 0x00000212C0842BD0, 16 bytes long.
Data: < >„À > A0 3E 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000212C0843300, 16 bytes long.
Data: <x>„À > 78 3E 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000212C083C600, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000212C0842A90, 16 bytes long.
Data: <P>„À > 50 3E 84 C0 12 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000212C0843E50, 992 bytes long.
Data: <*„À ƃÀ > 90 2A 84 C0 12 02 00 00 00 C6 83 C0 12 02 00 00
{90} normal block at 0x00000212C083C360, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000212C0836DD0, 16 bytes long.
Data: < ÛƒÀ > A0 DB 83 C0 12 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000212C083DBA0, 40 bytes long.
Data: <ÐmƒÀ `ÃÀ > D0 6D 83 C0 12 02 00 00 60 C3 83 C0 12 02 00 00
{67} normal block at 0x00000212C0836E20, 16 bytes long.
Data: <€ê®„ö > 80 EA AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000212C08370A0, 16 bytes long.
Data: <@鮄ö > 40 E9 AE 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000212C0837B90, 16 bytes long.
Data: <øW«„ö > F8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000212C0837690, 16 bytes long.
Data: <ØW«„ö > D8 57 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000212C0837B40, 16 bytes long.
Data: <P «„ö > 50 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000212C0837C30, 16 bytes long.
Data: <0 «„ö > 30 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000212C0837500, 16 bytes long.
Data: <à «„ö > E0 02 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000212C0837460, 16 bytes long.
Data: < «„ö > 10 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000212C08375F0, 16 bytes long.
Data: <p «„ö > 70 04 AB 84 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000212C08373C0, 16 bytes long.
Data: < À©„ö > 18 C0 A9 84 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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