Task 38684972
| Name | test_184-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND1419_0 |
| Workunit | 31626470 |
| Created | 27 Oct 2026, 18:49:09 UTC |
| Sent | 27 Oct 2026, 18:49:23 UTC |
| Report deadline | 1 Nov 2026, 18:49:23 UTC |
| Received | 1 Nov 2026, 11:38:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654914 |
| Run time | 37 min 27 sec |
| CPU time | 34 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,386.28 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.89 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:01:36 (15308): wrapper (7.9.26016): starting
12:01:36 (15308): 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
12:01:37 (15308): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:01:37 (15308): 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
12:38:02 (15308): C:/Windows/system32/cmd.exe exited; CPU time 2097.359375
12:38:02 (15308): 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: 31045783 bytes.
Dumping objects ->
{3835177} normal block at 0x000001AED9FDC1D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x000001AED9FDC6A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x000001AED83E4370, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835144} normal block at 0x000001AED83E4290, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000001AED83E41B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835102} normal block at 0x000001AEDA0231C0, 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) : {3835089} normal block at 0x000001AED83DE6C0, 8 bytes long.
Data: < xØ® > 00 00 78 D8 AE 01 00 00
{3833949} normal block at 0x000001AED83DE990, 8 bytes long.
Data: <  ûÙ® > A0 03 FB D9 AE 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001AED83E0500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AED83CE540, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001AED83E5A60, 16 bytes long.
Data: < M>Ø® > 88 4D 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AED83E5920, 16 bytes long.
Data: <`M>Ø® > 60 4D 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AED83DF150, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001AED83E51A0, 16 bytes long.
Data: <8M>Ø® > 38 4D 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AED83E5CE0, 16 bytes long.
Data: < M>Ø® > 10 4D 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AED83E51F0, 16 bytes long.
Data: <èL>Ø® > E8 4C 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AED83E57E0, 16 bytes long.
Data: <ÀL>Ø® > C0 4C 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AED83E3F80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001AED83E5DD0, 16 bytes long.
Data: <(Ú=Ø® > 28 DA 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AED83DF390, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001AED83E5060, 16 bytes long.
Data: < Ú=Ø® > 00 DA 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AED83E4F70, 16 bytes long.
Data: <ØÙ=Ø® > D8 D9 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AED83E56A0, 16 bytes long.
Data: <°Ù=Ø® > B0 D9 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AED83E5380, 16 bytes long.
Data: < Ù=Ø® > 88 D9 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AED83E5330, 16 bytes long.
Data: <`Ù=Ø® > 60 D9 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AED83E5290, 16 bytes long.
Data: <8Ù=Ø® > 38 D9 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AED83DF210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001AED83E5100, 16 bytes long.
Data: < Ù=Ø® > 10 D9 3D D8 AE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AED83DD910, 320 bytes long.
Data: < Q>Ø® ò=Ø® > 00 51 3E D8 AE 01 00 00 10 F2 3D D8 AE 01 00 00
{270} normal block at 0x000001AED83E4FC0, 16 bytes long.
Data: < L>Ø® > A0 4C 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AED83E52E0, 16 bytes long.
Data: <xL>Ø® > 78 4C 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AED83DF630, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001AED83E5010, 16 bytes long.
Data: <PL>Ø® > 50 4C 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AED83DF990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001AED83E5650, 16 bytes long.
Data: < K>Ø® > 98 4B 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AED83E5600, 16 bytes long.
Data: <pK>Ø® > 70 4B 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AED83E5470, 16 bytes long.
Data: <HK>Ø® > 48 4B 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AED83E50B0, 16 bytes long.
Data: < K>Ø® > 20 4B 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AED83E5A10, 16 bytes long.
Data: <øJ>Ø® > F8 4A 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AED83DDBD0, 16 bytes long.
Data: <ÐJ>Ø® > D0 4A 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AED83DDB80, 16 bytes long.
Data: < ?>Ø® > 10 3F 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001AED83E3F10, 40 bytes long.
Data: < Û=Ø® À1 Ú® > 80 DB 3D D8 AE 01 00 00 C0 31 02 DA AE 01 00 00
{256} normal block at 0x000001AED83DEA30, 16 bytes long.
Data: <°J>Ø® > B0 4A 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001AED83DE7B0, 16 bytes long.
Data: < J>Ø® > 88 4A 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001AED83DF6F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001AED83DE9E0, 16 bytes long.
Data: <`J>Ø® > 60 4A 3E D8 AE 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001AED83E4A60, 992 bytes long.
Data: <àé=Ø® ðö=Ø® > E0 E9 3D D8 AE 01 00 00 F0 F6 3D D8 AE 01 00 00
{88} normal block at 0x000001AED83DF7B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001AED83DE1C0, 16 bytes long.
Data: < ó<Ø® > 90 F3 3C D8 AE 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001AED83CF390, 40 bytes long.
Data: <Àá=Ø® °÷=Ø® > C0 E1 3D D8 AE 01 00 00 B0 F7 3D D8 AE 01 00 00
{65} normal block at 0x000001AED83DE3A0, 16 bytes long.
Data: < êk}÷ > 80 EA 6B 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AED83DDFE0, 16 bytes long.
Data: <@ék}÷ > 40 E9 6B 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AED83DDF40, 16 bytes long.
Data: <øWh}÷ > F8 57 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AED83DE350, 16 bytes long.
Data: <ØWh}÷ > D8 57 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AED83DE120, 16 bytes long.
Data: <P h}÷ > 50 04 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AED83DE670, 16 bytes long.
Data: <0 h}÷ > 30 04 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AED83DDEA0, 16 bytes long.
Data: <à h}÷ > E0 02 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AED83DDAE0, 16 bytes long.
Data: < h}÷ > 10 04 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AED83DE580, 16 bytes long.
Data: <p h}÷ > 70 04 68 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001AED83DE300, 16 bytes long.
Data: < Àf}÷ > 18 C0 66 7D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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