Task 38649312

Name test_964-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND7983_0
Workunit 31593970
Created 23 Oct 2026, 21:06:31 UTC
Sent 24 Oct 2026, 4:26:16 UTC
Report deadline 29 Oct 2026, 4:26:16 UTC
Received 24 Oct 2026, 5:00:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592498
Run time 32 min 45 sec
CPU time 26 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.01 MB
Peak swap size 8.28 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:28:41 (46252): wrapper (7.9.26016): starting
22:28:41 (46252): 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
22:28:43 (46252): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:28:43 (46252): 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\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 'C:\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
22:59:56 (46252): C:/Windows/system32/cmd.exe exited; CPU time 1609.531250
22:59:56 (46252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 42357921 bytes.
Dumping objects ->
{3835194} normal block at 0x000001ABE7A299C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001ABE43FB8B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001ABE43FB760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000001ABE43FB6F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001ABE43FB7D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000001ABE7A7E170, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835105} normal block at 0x000001ABE4402E20, 8 bytes long.
 Data: <  &#221;&#229;&#171;   > 00 00 DD E5 AB 01 00 00 
{3833947} normal block at 0x000001ABE4402E70, 8 bytes long.
 Data: <&#208;J@&#228;&#171;   > D0 4A 40 E4 AB 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001ABE43EC320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ABE43E6E10, 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 0x000001ABE4402EC0, 16 bytes long.
 Data: <&#184;)@&#228;&#171;           > B8 29 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ABE44031E0, 16 bytes long.
 Data: < )@&#228;&#171;           > 90 29 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ABE43FCB20, 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 0x000001ABE44035A0, 16 bytes long.
 Data: <h)@&#228;&#171;           > 68 29 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ABE44033C0, 16 bytes long.
 Data: <@)@&#228;&#171;           > 40 29 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ABE44034B0, 16 bytes long.
 Data: < )@&#228;&#171;           > 18 29 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ABE4403870, 16 bytes long.
 Data: <&#240;(@&#228;&#171;           > F0 28 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ABE43FB3E0, 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 0x000001ABE43FF270, 16 bytes long.
 Data: <&#184;!@&#228;&#171;           > B8 21 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ABE43FCB80, 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 0x000001ABE43FEA50, 16 bytes long.
 Data: < !@&#228;&#171;           > 90 21 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ABE43FF540, 16 bytes long.
 Data: <h!@&#228;&#171;           > 68 21 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ABE43FF8B0, 16 bytes long.
 Data: <@!@&#228;&#171;           > 40 21 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ABE43FF0E0, 16 bytes long.
 Data: < !@&#228;&#171;           > 18 21 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ABE43FF040, 16 bytes long.
 Data: <&#240; @&#228;&#171;           > F0 20 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ABE43FF720, 16 bytes long.
 Data: <&#200; @&#228;&#171;           > C8 20 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ABE43FD6C0, 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 0x000001ABE43FEB90, 16 bytes long.
 Data: <&#160; @&#228;&#171;           > A0 20 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ABE44020A0, 320 bytes long.
 Data: < &#235;?&#228;&#171;   &#192;&#214;?&#228;&#171;   > 90 EB 3F E4 AB 01 00 00 C0 D6 3F E4 AB 01 00 00 
{269} normal block at 0x000001ABE43FF9A0, 16 bytes long.
 Data: <&#208;(@&#228;&#171;           > D0 28 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ABE43FF130, 16 bytes long.
 Data: <&#168;(@&#228;&#171;           > A8 28 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ABE43FCC40, 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 0x000001ABE43FEFA0, 16 bytes long.
 Data: < (@&#228;&#171;           > 80 28 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ABE43FD660, 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 0x000001ABE43FF860, 16 bytes long.
 Data: <&#200;'@&#228;&#171;           > C8 27 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ABE43FF090, 16 bytes long.
 Data: <&#160;'@&#228;&#171;           > A0 27 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ABE43FF630, 16 bytes long.
 Data: <x'@&#228;&#171;           > 78 27 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ABE43FF590, 16 bytes long.
 Data: <P'@&#228;&#171;           > 50 27 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ABE43FF900, 16 bytes long.
 Data: <('@&#228;&#171;           > 28 27 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ABE43FEFF0, 16 bytes long.
 Data: < '@&#228;&#171;           > 00 27 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001ABE43FEF50, 16 bytes long.
 Data: < &#185;?&#228;&#171;           > 90 B9 3F E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ABE43FB990, 40 bytes long.
 Data: <P&#239;?&#228;&#171;   p&#225;&#167;&#231;&#171;   > 50 EF 3F E4 AB 01 00 00 70 E1 A7 E7 AB 01 00 00 
{255} normal block at 0x000001ABE43FEF00, 16 bytes long.
 Data: <&#224;&@&#228;&#171;           > E0 26 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001ABE43FEBE0, 16 bytes long.
 Data: <&#184;&@&#228;&#171;           > B8 26 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001ABE43FD0C0, 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 0x000001ABE43FEE10, 16 bytes long.
 Data: < &@&#228;&#171;           > 90 26 40 E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001ABE4402690, 992 bytes long.
 Data: < &#238;?&#228;&#171;   &#192;&#208;?&#228;&#171;   > 10 EE 3F E4 AB 01 00 00 C0 D0 3F E4 AB 01 00 00 
{87} normal block at 0x000001ABE43FD540, 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 0x000001ABE43FED20, 16 bytes long.
 Data: <0&#181;?&#228;&#171;           > 30 B5 3F E4 AB 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001ABE43FB530, 40 bytes long.
 Data: < &#237;?&#228;&#171;   @&#213;?&#228;&#171;   > 20 ED 3F E4 AB 01 00 00 40 D5 3F E4 AB 01 00 00 
{64} normal block at 0x000001ABE43FF770, 16 bytes long.
 Data: < &#234;"&#164;&#247;           > 80 EA 22 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ABE43FED70, 16 bytes long.
 Data: <@&#233;"&#164;&#247;           > 40 E9 22 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ABE43FEAF0, 16 bytes long.
 Data: <&#248;W &#164;&#247;           > F8 57 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ABE43FF4A0, 16 bytes long.
 Data: <&#216;W &#164;&#247;           > D8 57 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ABE43FEE60, 16 bytes long.
 Data: <P  &#164;&#247;           > 50 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ABE43FF3B0, 16 bytes long.
 Data: <0  &#164;&#247;           > 30 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ABE43FF7C0, 16 bytes long.
 Data: <&#224;  &#164;&#247;           > E0 02 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ABE43FF810, 16 bytes long.
 Data: <   &#164;&#247;           > 10 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001ABE43FF310, 16 bytes long.
 Data: <p  &#164;&#247;           > 70 04 1F A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001ABE43F1730, 16 bytes long.
 Data: < &#192; &#164;&#247;           > 18 C0 1D A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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