Task 38689239

Name test_506-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4928_0
Workunit 31630508
Created 28 Oct 2026, 19:27:37 UTC
Sent 28 Oct 2026, 19:27:39 UTC
Report deadline 2 Nov 2026, 19:27:39 UTC
Received 28 Oct 2026, 20:16:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 32 min 55 sec
CPU time 21 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.96 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:43:18 (15492): wrapper (7.9.26016): starting
12:43:18 (15492): 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
12:43:20 (15492): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:43:20 (15492): 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\4\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\4\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
13:15:32 (15492): C:/Windows/system32/cmd.exe exited; CPU time 1288.625000
13:15:32 (15492): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26759011 bytes.
Dumping objects ->
{3835241} normal block at 0x000002250FA84E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x000002250FA84AD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000002250FA84A60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x000002250FA84DE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002250FA84B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x0000022511767A80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000225116903B0, 155 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) : {3835151} normal block at 0x000002250FA7EE30, 8 bytes long.
 Data: <  &#246; %   > 00 00 F6 0F 25 02 00 00 
{3834548} normal block at 0x0000022511690110, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002250FA7F510, 8 bytes long.
 Data: <&#176;&#227;g %   > B0 E3 67 11 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002250FA81030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002250FA769D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002250FA86120, 16 bytes long.
 Data: <&#184;i&#168; %           > B8 69 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002250FA85EF0, 16 bytes long.
 Data: < i&#168; %           > 90 69 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002250FA7FEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002250FA859A0, 16 bytes long.
 Data: <hi&#168; %           > 68 69 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002250FA86530, 16 bytes long.
 Data: <@i&#168; %           > 40 69 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002250FA85900, 16 bytes long.
 Data: < i&#168; %           > 18 69 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002250FA857C0, 16 bytes long.
 Data: <&#240;h&#168; %           > F0 68 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002250FA84980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002250FA86030, 16 bytes long.
 Data: <&#248;&#181;&#166; %           > F8 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002250FA80340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002250FA85860, 16 bytes long.
 Data: <&#208;&#181;&#166; %           > D0 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002250FA85BD0, 16 bytes long.
 Data: <&#168;&#181;&#166; %           > A8 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002250FA85F90, 16 bytes long.
 Data: < &#181;&#166; %           > 80 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002250FA85C20, 16 bytes long.
 Data: <X&#181;&#166; %           > 58 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002250FA85C70, 16 bytes long.
 Data: <0&#181;&#166; %           > 30 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002250FA86620, 16 bytes long.
 Data: < &#181;&#166; %           > 08 B5 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002250FA7F9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002250FA85770, 16 bytes long.
 Data: <&#224;&#180;&#166; %           > E0 B4 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002250FA6B4E0, 320 bytes long.
 Data: <pW&#168; %   &#224;&#249;&#167; %   > 70 57 A8 0F 25 02 00 00 E0 F9 A7 0F 25 02 00 00 
{274} normal block at 0x000002250FA85FE0, 16 bytes long.
 Data: <&#208;h&#168; %           > D0 68 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002250FA856D0, 16 bytes long.
 Data: <&#168;h&#168; %           > A8 68 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002250FA802E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002250FA864E0, 16 bytes long.
 Data: < h&#168; %           > 80 68 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002250FA80220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002250FA86300, 16 bytes long.
 Data: <&#200;g&#168; %           > C8 67 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002250FA861C0, 16 bytes long.
 Data: <&#160;g&#168; %           > A0 67 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002250FA86080, 16 bytes long.
 Data: <xg&#168; %           > 78 67 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002250FA86440, 16 bytes long.
 Data: <Pg&#168; %           > 50 67 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002250FA85A90, 16 bytes long.
 Data: <(g&#168; %           > 28 67 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002250FA858B0, 16 bytes long.
 Data: < g&#168; %           > 00 67 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002250FA86490, 16 bytes long.
 Data: < P&#168; %           > 10 50 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002250FA85010, 40 bytes long.
 Data: < d&#168; %    zv %   > 90 64 A8 0F 25 02 00 00 80 7A 76 11 25 02 00 00 
{260} normal block at 0x000002250FA865D0, 16 bytes long.
 Data: <&#224;f&#168; %           > E0 66 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002250FA85D10, 16 bytes long.
 Data: <&#184;f&#168; %           > B8 66 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002250FA801C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002250FA85B80, 16 bytes long.
 Data: < f&#168; %           > 90 66 A8 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002250FA86690, 992 bytes long.
 Data: < [&#168; %   &#192; &#168; %   > 80 5B A8 0F 25 02 00 00 C0 01 A8 0F 25 02 00 00 
{92} normal block at 0x000002250FA80700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002250FA7F380, 16 bytes long.
 Data: <&#192;&#199;&#166; %           > C0 C7 A6 0F 25 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002250FA6C7C0, 40 bytes long.
 Data: < &#243;&#167; %     &#168; %   > 80 F3 A7 0F 25 02 00 00 00 07 A8 0F 25 02 00 00 
{69} normal block at 0x000002250FA7F3D0, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002250FA7EBB0, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002250FA7EE80, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002250FA7F920, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002250FA7F790, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002250FA7F100, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002250FA7F420, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002250FA7EC50, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002250FA7F740, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002250FA7F8D0, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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