Task 38678267

Name test_428-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8580_1
Workunit 31620067
Created 26 Oct 2026, 16:53:41 UTC
Sent 26 Oct 2026, 16:53:44 UTC
Report deadline 31 Oct 2026, 16:53:44 UTC
Received 26 Oct 2026, 17:56:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 41 min 48 sec
CPU time 40 min 29 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 705.29 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>
18:15:06 (12084): wrapper (7.9.26016): starting
18:15:06 (12084): 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
18:15:07 (12084): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:15:07 (12084): 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\11\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\11\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
18:55:41 (12084): C:/Windows/system32/cmd.exe exited; CPU time 2429.375000
18:55:41 (12084): 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: 42053191 bytes.
Dumping objects ->
{3835207} normal block at 0x00000229D02B4560, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000229D02B45D0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000229D02B4AA0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x00000229D02B4800, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000229D02B4B80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x00000229D2048780, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x00000229D205EEC0, 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) : {3835118} normal block at 0x00000229D02AED30, 8 bytes long.
 Data: <  $&#208;)   > 00 00 24 D0 29 02 00 00 
{3834522} normal block at 0x00000229D205EF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000229D02AF190, 8 bytes long.
 Data: <@F &#210;)   > 40 46 0A D2 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000229D02B1110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229D02A63F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000229D02B5470, 16 bytes long.
 Data: <&#232;c+&#208;)           > E8 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229D02B51A0, 16 bytes long.
 Data: <&#192;c+&#208;)           > C0 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229D02AF860, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000229D02B56A0, 16 bytes long.
 Data: < c+&#208;)           > 98 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229D02B5600, 16 bytes long.
 Data: <pc+&#208;)           > 70 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000229D02B5C90, 16 bytes long.
 Data: <Hc+&#208;)           > 48 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000229D02B5C40, 16 bytes long.
 Data: < c+&#208;)           > 20 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229D02B4A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000229D02B5BF0, 16 bytes long.
 Data: < &#142;*&#208;)           > 88 8E 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229D02AFCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000229D02B51F0, 16 bytes long.
 Data: <`&#142;*&#208;)           > 60 8E 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229D02B5FB0, 16 bytes long.
 Data: <8&#142;*&#208;)           > 38 8E 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000229D02B6000, 16 bytes long.
 Data: < &#142;*&#208;)           > 10 8E 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229D02B5150, 16 bytes long.
 Data: <&#232; *&#208;)           > E8 8D 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000229D02B5D30, 16 bytes long.
 Data: <&#192; *&#208;)           > C0 8D 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229D02B5B00, 16 bytes long.
 Data: <  *&#208;)           > 98 8D 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229D02AF800, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000229D02B5510, 16 bytes long.
 Data: <p *&#208;)           > 70 8D 2A D0 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229D02A8D70, 320 bytes long.
 Data: < U+&#208;)    &#248;*&#208;)   > 10 55 2B D0 29 02 00 00 00 F8 2A D0 29 02 00 00 
{269} normal block at 0x00000229D02B5AB0, 16 bytes long.
 Data: < c+&#208;)           > 00 63 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000229D02B5A60, 16 bytes long.
 Data: <&#216;b+&#208;)           > D8 62 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229D02AF620, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000229D02B5380, 16 bytes long.
 Data: <&#176;b+&#208;)           > B0 62 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229D02B0160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000229D02B59C0, 16 bytes long.
 Data: <&#248;a+&#208;)           > F8 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000229D02B6050, 16 bytes long.
 Data: <&#208;a+&#208;)           > D0 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229D02B5A10, 16 bytes long.
 Data: <&#168;a+&#208;)           > A8 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229D02B54C0, 16 bytes long.
 Data: < a+&#208;)           > 80 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000229D02B5CE0, 16 bytes long.
 Data: <Xa+&#208;)           > 58 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000229D02B5240, 16 bytes long.
 Data: <0a+&#208;)           > 30 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000229D02B53D0, 16 bytes long.
 Data: < K+&#208;)           > 10 4B 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000229D02B4B10, 40 bytes long.
 Data: <&#208;S+&#208;)    &#135; &#210;)   > D0 53 2B D0 29 02 00 00 80 87 04 D2 29 02 00 00 
{255} normal block at 0x00000229D02B55B0, 16 bytes long.
 Data: < a+&#208;)           > 10 61 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000229D02B5970, 16 bytes long.
 Data: <&#232;`+&#208;)           > E8 60 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000229D02AFC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000229D02B5560, 16 bytes long.
 Data: <&#192;`+&#208;)           > C0 60 2B D0 29 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000229D02B60C0, 992 bytes long.
 Data: <`U+&#208;)    &#252;*&#208;)   > 60 55 2B D0 29 02 00 00 20 FC 2A D0 29 02 00 00 
{87} normal block at 0x00000229D02AF740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000229D02AEC40, 16 bytes long.
 Data: < &#210;)&#208;)           > 10 D2 29 D0 29 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000229D029D210, 40 bytes long.
 Data: <@&#236;*&#208;)   @&#247;*&#208;)   > 40 EC 2A D0 29 02 00 00 40 F7 2A D0 29 02 00 00 
{64} normal block at 0x00000229D02AE6A0, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000229D02AEF10, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000229D02AF4B0, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000229D02AF2D0, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000229D02AF3C0, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000229D02AEDD0, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000229D02AED80, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000229D02AECE0, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000229D02AF000, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000229D02AE920, 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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