Task 38660737

Name test_288-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND8924_1
Workunit 31604039
Created 24 Oct 2026, 14:39:50 UTC
Sent 24 Oct 2026, 14:47:59 UTC
Report deadline 29 Oct 2026, 14:47:59 UTC
Received 24 Oct 2026, 21:07:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 40 min 1 sec
CPU time 40 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.57 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:47:36 (33152): wrapper (7.9.26016): starting
18:47:36 (33152): 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
18:47:37 (33152): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:47:37 (33152): 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:\ProgramData\BOINC\slots\12\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:\ProgramData\BOINC\slots\12\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
19:27:48 (33152): C:/Windows/system32/cmd.exe exited; CPU time 2401.812500
19:27:48 (33152): 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: 44037701 bytes.
Dumping objects ->
{3835215} normal block at 0x00000137BD3C4A50, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000137BD3C49E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x00000137BD3C4970, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835182} normal block at 0x00000137BD3C4AC0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x00000137BD3C4660, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835140} normal block at 0x00000137BF125EF0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835129} normal block at 0x00000137BF13E130, 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) : {3835126} normal block at 0x00000137BD3BEE10, 8 bytes long.
 Data: <  9&#189;7   > 00 00 39 BD 37 01 00 00 
{3834530} normal block at 0x00000137BF13EA20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000137BD3BE640, 8 bytes long.
 Data: <`&#215;:&#189;7   > 60 D7 3A BD 37 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000137BD3C07A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000137BD3B56E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000137BD3C5A50, 16 bytes long.
 Data: <h`<&#189;7           > 68 60 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000137BD3C4F60, 16 bytes long.
 Data: <@`<&#189;7           > 40 60 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000137BD3BFA30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000137BD3C5280, 16 bytes long.
 Data: < `<&#189;7           > 18 60 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000137BD3C5A00, 16 bytes long.
 Data: <&#240;_<&#189;7           > F0 5F 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000137BD3C5C30, 16 bytes long.
 Data: <&#200;_<&#189;7           > C8 5F 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000137BD3C59B0, 16 bytes long.
 Data: <&#160;_<&#189;7           > A0 5F 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000137BD3C4510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000137BD3C5960, 16 bytes long.
 Data: <&#216;&#135;;&#189;7           > D8 87 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000137BD3BF3D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000137BD3C50A0, 16 bytes long.
 Data: <&#176;&#135;;&#189;7           > B0 87 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000137BD3C53C0, 16 bytes long.
 Data: < &#135;;&#189;7           > 88 87 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000137BD3C5550, 16 bytes long.
 Data: <`&#135;;&#189;7           > 60 87 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000137BD3C5050, 16 bytes long.
 Data: <8&#135;;&#189;7           > 38 87 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000137BD3C5500, 16 bytes long.
 Data: < &#135;;&#189;7           > 10 87 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000137BD3C5370, 16 bytes long.
 Data: <&#232;&#134;;&#189;7           > E8 86 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000137BD3BF010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000137BD3C5B90, 16 bytes long.
 Data: <&#192;&#134;;&#189;7           > C0 86 3B BD 37 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000137BD3B86C0, 320 bytes long.
 Data: < [<&#189;7    &#240;;&#189;7   > 90 5B 3C BD 37 01 00 00 10 F0 3B BD 37 01 00 00 
{273} normal block at 0x00000137BD3C52D0, 16 bytes long.
 Data: < _<&#189;7           > 80 5F 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000137BD3C5910, 16 bytes long.
 Data: <X_<&#189;7           > 58 5F 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000137BD3BF1F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000137BD3C5AA0, 16 bytes long.
 Data: <0_<&#189;7           > 30 5F 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000137BD3BF490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000137BD3C55F0, 16 bytes long.
 Data: <x^<&#189;7           > 78 5E 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000137BD3C5AF0, 16 bytes long.
 Data: <P^<&#189;7           > 50 5E 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000137BD3C5870, 16 bytes long.
 Data: <(^<&#189;7           > 28 5E 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000137BD3C5730, 16 bytes long.
 Data: < ^<&#189;7           > 00 5E 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000137BD3C5230, 16 bytes long.
 Data: <&#216;]<&#189;7           > D8 5D 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000137BD3C54B0, 16 bytes long.
 Data: <&#176;]<&#189;7           > B0 5D 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000137BD3C5820, 16 bytes long.
 Data: <@G<&#189;7           > 40 47 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000137BD3C4740, 40 bytes long.
 Data: < X<&#189;7   &#240;^ &#191;7   > 20 58 3C BD 37 01 00 00 F0 5E 12 BF 37 01 00 00 
{259} normal block at 0x00000137BD3C51E0, 16 bytes long.
 Data: < ]<&#189;7           > 90 5D 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000137BD3C5460, 16 bytes long.
 Data: <h]<&#189;7           > 68 5D 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000137BD3BF970, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000137BD3C57D0, 16 bytes long.
 Data: <@]<&#189;7           > 40 5D 3C BD 37 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000137BD3C5D40, 992 bytes long.
 Data: <&#208;W<&#189;7   p&#249;;&#189;7   > D0 57 3C BD 37 01 00 00 70 F9 3B BD 37 01 00 00 
{91} normal block at 0x00000137BD3BFD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000137BD3BE870, 16 bytes long.
 Data: < &#220;:&#189;7           > 90 DC 3A BD 37 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000137BD3ADC90, 40 bytes long.
 Data: <p&#232;;&#189;7   0&#253;;&#189;7   > 70 E8 3B BD 37 01 00 00 30 FD 3B BD 37 01 00 00 
{68} normal block at 0x00000137BD3BE550, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000137BD3BE500, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000137BD3BE780, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000137BD3BEA00, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000137BD3BED70, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000137BD3BE320, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000137BD3BEC30, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000137BD3BEEB0, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000137BD3BED20, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000137BD3BEB40, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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