Task 38677325

Name test_810-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND1869_1
Workunit 31592661
Created 26 Oct 2026, 13:58:51 UTC
Sent 26 Oct 2026, 13:58:54 UTC
Report deadline 31 Oct 2026, 13:58:54 UTC
Received 26 Oct 2026, 15:51:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 38 min 54 sec
CPU time 36 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.44 MB
Peak swap size 12.91 GB
Peak disk usage 3.85 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:14:01 (40196): wrapper (7.9.26016): starting
16:14:01 (40196): 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
16:14:03 (40196): Library/usr/bin/tar.exe exited; CPU time 0.062500
16:14:03 (40196): 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\5\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\5\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
16:50:37 (40196): C:/Windows/system32/cmd.exe exited; CPU time 2186.921875
16:50:37 (40196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 56893663 bytes.
Dumping objects ->
{3835258} normal block at 0x00000209D7C313A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000209D7C30C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000209D7C30B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000209D7C315D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000209D7C30A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000209D7CDBDA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000209D7CB2A20, 141 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) : {3835169} normal block at 0x00000209D61157E0, 8 bytes long.
 Data: <   &#214;	   > 00 00 07 D6 09 02 00 00 
{3834553} normal block at 0x00000209D7CB2130, 141 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 0x00000209D6115D30, 8 bytes long.
 Data: < &#170; &#214;	   > 80 AA 10 D6 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000209D6120BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000209D6121B30, 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 0x00000209D6122770, 16 bytes long.
 Data: < / &#214;	           > 18 2F 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000209D6122270, 16 bytes long.
 Data: <&#240;. &#214;	           > F0 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000209D611C050, 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 0x00000209D6122180, 16 bytes long.
 Data: <&#200;. &#214;	           > C8 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000209D6122AE0, 16 bytes long.
 Data: <&#160;. &#214;	           > A0 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000209D6122400, 16 bytes long.
 Data: <x. &#214;	           > 78 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000209D6121C30, 16 bytes long.
 Data: <P. &#214;	           > 50 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000209D611A630, 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 0x00000209D6122220, 16 bytes long.
 Data: <&#200;  &#214;	           > C8 1A 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000209D611B8D0, 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 0x00000209D6122090, 16 bytes long.
 Data: <&#160;  &#214;	           > A0 1A 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000209D6122A90, 16 bytes long.
 Data: <x  &#214;	           > 78 1A 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000209D6121D20, 16 bytes long.
 Data: <P  &#214;	           > 50 1A 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000209D6122130, 16 bytes long.
 Data: <(  &#214;	           > 28 1A 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000209D61228B0, 16 bytes long.
 Data: <   &#214;	           > 00 1A 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000209D61220E0, 16 bytes long.
 Data: <&#216;  &#214;	           > D8 19 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000209D611BED0, 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 0x00000209D61226D0, 16 bytes long.
 Data: <&#176;  &#214;	           > B0 19 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000209D61219B0, 320 bytes long.
 Data: <&#208;& &#214;	   &#208;&#190; &#214;	   > D0 26 12 D6 09 02 00 00 D0 BE 11 D6 09 02 00 00 
{269} normal block at 0x00000209D6122680, 16 bytes long.
 Data: <0. &#214;	           > 30 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000209D6121EB0, 16 bytes long.
 Data: < . &#214;	           > 08 2E 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000209D611B870, 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 0x00000209D61224F0, 16 bytes long.
 Data: <&#224;- &#214;	           > E0 2D 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000209D611C530, 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 0x00000209D6121CD0, 16 bytes long.
 Data: <(- &#214;	           > 28 2D 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000209D6121F50, 16 bytes long.
 Data: < - &#214;	           > 00 2D 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000209D6121E10, 16 bytes long.
 Data: <&#216;, &#214;	           > D8 2C 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000209D6121FF0, 16 bytes long.
 Data: <&#176;, &#214;	           > B0 2C 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000209D61223B0, 16 bytes long.
 Data: < , &#214;	           > 88 2C 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000209D6122A40, 16 bytes long.
 Data: <`, &#214;	           > 60 2C 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000209D6122310, 16 bytes long.
 Data: <p&#164; &#214;	           > 70 A4 11 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000209D611A470, 40 bytes long.
 Data: < # &#214;	   &#160;&#189;&#205;&#215;	   > 10 23 12 D6 09 02 00 00 A0 BD CD D7 09 02 00 00 
{255} normal block at 0x00000209D6122B30, 16 bytes long.
 Data: <@, &#214;	           > 40 2C 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000209D61221D0, 16 bytes long.
 Data: < , &#214;	           > 18 2C 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000209D611C4D0, 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 0x00000209D6122040, 16 bytes long.
 Data: <&#240;+ &#214;	           > F0 2B 12 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000209D6122BF0, 992 bytes long.
 Data: <@  &#214;	   &#208;&#196; &#214;	   > 40 20 12 D6 09 02 00 00 D0 C4 11 D6 09 02 00 00 
{87} normal block at 0x00000209D611BC30, 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 0x00000209D6115560, 16 bytes long.
 Data: < &#164; &#214;	           > 00 A4 11 D6 09 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000209D611A400, 40 bytes long.
 Data: <`U &#214;	   0&#188; &#214;	   > 60 55 11 D6 09 02 00 00 30 BC 11 D6 09 02 00 00 
{64} normal block at 0x00000209D6115470, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000209D6115A10, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000209D61162D0, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000209D6115420, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000209D6115600, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000209D61156A0, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000209D6116050, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000209D61159C0, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000209D61153D0, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000209D6115E70, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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