Task 38647053

Name test_25-GPUGRID_TEST_ATM_500_20261023-0-1-RND8344_2
Workunit 31590362
Created 23 Oct 2026, 18:23:45 UTC
Sent 23 Oct 2026, 18:35:03 UTC
Report deadline 28 Oct 2026, 18:35:03 UTC
Received 23 Oct 2026, 19:08:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 32 min 22 sec
CPU time 30 min 29 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.23 MB
Peak swap size 6.79 GB
Peak disk usage 3.26 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
14:36:21 (16612): wrapper (7.9.26016): starting
14:36:21 (16612): 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
14:36:23 (16612): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:36:23 (16612): 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\6\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\6\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
15:07:36 (16612): C:/Windows/system32/cmd.exe exited; CPU time 1829.265625
15:07:36 (16612): 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: 35498991 bytes.
Dumping objects ->
{3835542} normal block at 0x000001A443656860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001A4436564E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x000001A4436568D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x000001A443656320, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000001A443656470, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000001A4452B9F70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001A4452CEEA0, 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) : {3835453} normal block at 0x000001A44364F6E0, 8 bytes long.
 Data: <  _C&#164;   > 00 00 5F 43 A4 01 00 00 
{3834690} normal block at 0x000001A4452CE870, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001A44364FAF0, 8 bytes long.
 Data: <&#208;?4E&#164;   > D0 3F 34 45 A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A44364D420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A443645EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001A443655350, 16 bytes long.
 Data: <&#216;aeC&#164;           > D8 61 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A443655670, 16 bytes long.
 Data: <&#176;aeC&#164;           > B0 61 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A443650860, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001A443655A80, 16 bytes long.
 Data: < aeC&#164;           > 88 61 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A443655A30, 16 bytes long.
 Data: <`aeC&#164;           > 60 61 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A443655120, 16 bytes long.
 Data: <8aeC&#164;           > 38 61 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A443655990, 16 bytes long.
 Data: < aeC&#164;           > 10 61 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A443656940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001A4436551C0, 16 bytes long.
 Data: <&#232; dC&#164;           > E8 8F 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A4436505C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001A443655530, 16 bytes long.
 Data: <&#192; dC&#164;           > C0 8F 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A443655760, 16 bytes long.
 Data: <  dC&#164;           > 98 8F 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A4436554E0, 16 bytes long.
 Data: <p dC&#164;           > 70 8F 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A443655620, 16 bytes long.
 Data: <H dC&#164;           > 48 8F 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A443655490, 16 bytes long.
 Data: <  dC&#164;           > 20 8F 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A4436550D0, 16 bytes long.
 Data: <&#248;&#142;dC&#164;           > F8 8E 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A4436500E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001A4436558A0, 16 bytes long.
 Data: <&#208;&#142;dC&#164;           > D0 8E 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A443648ED0, 320 bytes long.
 Data: <&#160;XeC&#164;   &#224; eC&#164;   > A0 58 65 43 A4 01 00 00 E0 00 65 43 A4 01 00 00 
{275} normal block at 0x000001A443655300, 16 bytes long.
 Data: <&#240;`eC&#164;           > F0 60 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A443655CB0, 16 bytes long.
 Data: <&#200;`eC&#164;           > C8 60 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A44364FDE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001A443655580, 16 bytes long.
 Data: <&#160;`eC&#164;           > A0 60 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A443650020, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001A443655030, 16 bytes long.
 Data: <&#232;_eC&#164;           > E8 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A443655850, 16 bytes long.
 Data: <&#192;_eC&#164;           > C0 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A443654F40, 16 bytes long.
 Data: < _eC&#164;           > 98 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A443654EF0, 16 bytes long.
 Data: <p_eC&#164;           > 70 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A4436552B0, 16 bytes long.
 Data: <H_eC&#164;           > 48 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A443655210, 16 bytes long.
 Data: < _eC&#164;           > 20 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A443655080, 16 bytes long.
 Data: <&#160;&#203;cC&#164;           > A0 CB 63 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A44363CBA0, 40 bytes long.
 Data: < PeC&#164;   p&#159;+E&#164;   > 80 50 65 43 A4 01 00 00 70 9F 2B 45 A4 01 00 00 
{261} normal block at 0x000001A443655E40, 16 bytes long.
 Data: < _eC&#164;           > 00 5F 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A443655DF0, 16 bytes long.
 Data: <&#216;^eC&#164;           > D8 5E 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A44364FFC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001A443654FE0, 16 bytes long.
 Data: <&#176;^eC&#164;           > B0 5E 65 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A443655EB0, 992 bytes long.
 Data: <&#224;OeC&#164;   &#192;&#255;dC&#164;   > E0 4F 65 43 A4 01 00 00 C0 FF 64 43 A4 01 00 00 
{93} normal block at 0x000001A44364FF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001A44364F000, 16 bytes long.
 Data: <&#224;DdC&#164;           > E0 44 64 43 A4 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001A4436444E0, 40 bytes long.
 Data: < &#240;dC&#164;    &#255;dC&#164;   > 00 F0 64 43 A4 01 00 00 00 FF 64 43 A4 01 00 00 
{70} normal block at 0x000001A44364F2D0, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A44364FA00, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A44364F4B0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A44364EF10, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A44364F410, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A44364EFB0, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A44364FA50, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A44364EF60, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A44364F5F0, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A44364EE70, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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