Task 38699709
| Name | test_153-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3779_0 |
| Workunit | 31640086 |
| Created | 5 Nov 2026, 6:33:53 UTC |
| Sent | 5 Nov 2026, 6:33:57 UTC |
| Report deadline | 10 Nov 2026, 6:33:57 UTC |
| Received | 5 Nov 2026, 8:40:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 603627 |
| Run time | 2 hours 5 min 25 sec |
| CPU time | 2 hours 3 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,898.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 669.44 MB |
| Peak swap size | 6.68 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:35:33 (20404): wrapper (7.9.26016): starting
07:35:33 (20404): 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
07:35:35 (20404): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:35:35 (20404): 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\15\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\15\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
09:39:40 (20404): C:/Windows/system32/cmd.exe exited; CPU time 7380.093750
09:39:40 (20404): 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: 136763895 bytes.
Dumping objects ->
{3835274} normal block at 0x000001AE968DE2E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835263} normal block at 0x000001AE968DE4A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x000001AE94DD6270, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835241} normal block at 0x000001AE94DD6200, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x000001AE94DD6040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835199} normal block at 0x000001AE9692CF90, 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) : {3835186} normal block at 0x000001AE94DCEC30, 8 bytes long.
Data: < %•® > 00 00 25 95 AE 01 00 00
{3833975} normal block at 0x000001AE94DCE5F0, 8 bytes long.
Data: <pT –® > 70 54 98 96 AE 01 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001AE94DD2680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001AE94DC7870, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000001AE94DD70E0, 16 bytes long.
Data: <È~Ý”® > C8 7E DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001AE94DD6FA0, 16 bytes long.
Data: < ~Ý”® > A0 7E DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001AE94DD09F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000001AE94DD7400, 16 bytes long.
Data: <x~Ý”® > 78 7E DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001AE94DD7270, 16 bytes long.
Data: <P~Ý”® > 50 7E DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AE94DD7860, 16 bytes long.
Data: <(~Ý”® > 28 7E DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AE94DD6F00, 16 bytes long.
Data: < ~Ý”® > 00 7E DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001AE94DD62E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000001AE94DD77C0, 16 bytes long.
Data: < Ý”® > 18 09 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AE94DD0F30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000001AE94DD7AE0, 16 bytes long.
Data: <ð Ý”® > F0 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AE94DD74F0, 16 bytes long.
Data: <È Ý”® > C8 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AE94DD7630, 16 bytes long.
Data: <  Ý”® > A0 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AE94DD7360, 16 bytes long.
Data: <x Ý”® > 78 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AE94DD71D0, 16 bytes long.
Data: <P Ý”® > 50 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AE94DD75E0, 16 bytes long.
Data: <( Ý”® > 28 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AE94DD0AB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000001AE94DD7130, 16 bytes long.
Data: < Ý”® > 00 08 DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AE94DD0800, 320 bytes long.
Data: <0qÝ”® ° Ý”® > 30 71 DD 94 AE 01 00 00 B0 0A DD 94 AE 01 00 00
{283} normal block at 0x000001AE94DD6CD0, 16 bytes long.
Data: <à}Ý”® > E0 7D DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AE94DD7900, 16 bytes long.
Data: <¸}Ý”® > B8 7D DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AE94DD14D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000001AE94DD79F0, 16 bytes long.
Data: < }Ý”® > 90 7D DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AE94DD0CF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000001AE94DD6D20, 16 bytes long.
Data: <Ø|Ý”® > D8 7C DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AE94DD7310, 16 bytes long.
Data: <°|Ý”® > B0 7C DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AE94DD73B0, 16 bytes long.
Data: < |Ý”® > 88 7C DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AE94DD6EB0, 16 bytes long.
Data: <`|Ý”® > 60 7C DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AE94DD7770, 16 bytes long.
Data: <8|Ý”® > 38 7C DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AE94DD7B30, 16 bytes long.
Data: < |Ý”® > 10 7C DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AE94DD7180, 16 bytes long.
Data: < ]Ý”® > A0 5D DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AE94DD5DA0, 40 bytes long.
Data: < qÝ”® Ï’–® > 80 71 DD 94 AE 01 00 00 90 CF 92 96 AE 01 00 00
{269} normal block at 0x000001AE94DD6D70, 16 bytes long.
Data: <ð{Ý”® > F0 7B DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AE94DD7680, 16 bytes long.
Data: <È{Ý”® > C8 7B DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AE94DD0F90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000001AE94DD7540, 16 bytes long.
Data: < {Ý”® > A0 7B DD 94 AE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AE94DD7BA0, 992 bytes long.
Data: <@uÝ”® Ý”® > 40 75 DD 94 AE 01 00 00 90 0F DD 94 AE 01 00 00
{101} normal block at 0x000001AE94DD0B70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000001AE94DCF040, 16 bytes long.
Data: < ñÛ”® > 10 F1 DB 94 AE 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001AE94DBF110, 40 bytes long.
Data: <@ðÜ”® p Ý”® > 40 F0 DC 94 AE 01 00 00 70 0B DD 94 AE 01 00 00
{78} normal block at 0x000001AE94DCEF00, 16 bytes long.
Data: < ê_cö > 80 EA 5F 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001AE94DCE780, 16 bytes long.
Data: <@é_cö > 40 E9 5F 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001AE94DCEFF0, 16 bytes long.
Data: <øW\cö > F8 57 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001AE94DCE8C0, 16 bytes long.
Data: <ØW\cö > D8 57 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001AE94DCE5A0, 16 bytes long.
Data: <P \cö > 50 04 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001AE94DCEE60, 16 bytes long.
Data: <0 \cö > 30 04 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001AE94DCE820, 16 bytes long.
Data: <à \cö > E0 02 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AE94DCE870, 16 bytes long.
Data: < \cö > 10 04 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AE94DCE190, 16 bytes long.
Data: <p \cö > 70 04 5C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AE94DCE370, 16 bytes long.
Data: < ÀZcö > 18 C0 5A 63 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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