Task 38673278

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9650_0
Workunit 31615370
Created 26 Oct 2026, 2:01:31 UTC
Sent 26 Oct 2026, 2:01:35 UTC
Report deadline 31 Oct 2026, 2:01:35 UTC
Received 26 Oct 2026, 3:30:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 22 min 5 sec
CPU time 21 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,014.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.93 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
14:09:07 (2356): wrapper (7.9.26016): starting
14:09:07 (2356): 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
14:09:08 (2356): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:09:08 (2356): 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\0\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\0\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
14:30:24 (2356): C:/Windows/system32/cmd.exe exited; CPU time 1262.937500
14:30:24 (2356): 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: 23434625 bytes.
Dumping objects ->
{3835653} normal block at 0x000001BC4F8D6950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x000001BC4F8D6870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x000001BC4DB48030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x000001BC4DB47F50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x000001BC4DB47EE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x000001BC4F87C0B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x000001BC4F8917F0, 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) : {3835564} normal block at 0x000001BC4DB406D0, 8 bytes long.
 Data: <  &#244;M&#188;   > 00 00 F4 4D BC 01 00 00 
{3834735} normal block at 0x000001BC4F891690, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001BC4DB3FE10, 8 bytes long.
 Data: <`&#228;xO&#188;   > 60 E4 78 4F BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001BC4DB41EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001BC4DB36E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001BC4DB48790, 16 bytes long.
 Data: <x&#149;&#180;M&#188;           > 78 95 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001BC4DB490F0, 16 bytes long.
 Data: <P&#149;&#180;M&#188;           > 50 95 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BC4DB3EE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001BC4DB48BF0, 16 bytes long.
 Data: <(&#149;&#180;M&#188;           > 28 95 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BC4DB489C0, 16 bytes long.
 Data: < &#149;&#180;M&#188;           > 00 95 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BC4DB48650, 16 bytes long.
 Data: <&#216;&#148;&#180;M&#188;           > D8 94 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BC4DB48BA0, 16 bytes long.
 Data: <&#176;&#148;&#180;M&#188;           > B0 94 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BC4DB48110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001BC4DB48EC0, 16 bytes long.
 Data: < &#183;&#178;M&#188;           > 98 B7 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BC4DB3E860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001BC4DB483D0, 16 bytes long.
 Data: <p&#183;&#178;M&#188;           > 70 B7 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BC4DB48330, 16 bytes long.
 Data: <H&#183;&#178;M&#188;           > 48 B7 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BC4DB490A0, 16 bytes long.
 Data: < &#183;&#178;M&#188;           > 20 B7 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BC4DB48510, 16 bytes long.
 Data: <&#248;&#182;&#178;M&#188;           > F8 B6 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BC4DB48600, 16 bytes long.
 Data: <&#208;&#182;&#178;M&#188;           > D0 B6 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BC4DB49140, 16 bytes long.
 Data: <&#168;&#182;&#178;M&#188;           > A8 B6 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BC4DB3E4A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001BC4DB482E0, 16 bytes long.
 Data: < &#182;&#178;M&#188;           > 80 B6 B2 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BC4DB2B680, 320 bytes long.
 Data: <&#224;&#130;&#180;M&#188;   &#160;&#228;&#179;M&#188;   > E0 82 B4 4D BC 01 00 00 A0 E4 B3 4D BC 01 00 00 
{281} normal block at 0x000001BC4DB48AB0, 16 bytes long.
 Data: < &#148;&#180;M&#188;           > 90 94 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BC4DB487E0, 16 bytes long.
 Data: <h&#148;&#180;M&#188;           > 68 94 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BC4DB3E380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001BC4DB484C0, 16 bytes long.
 Data: <@&#148;&#180;M&#188;           > 40 94 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BC4DB3E3E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001BC4DB48CE0, 16 bytes long.
 Data: < &#147;&#180;M&#188;           > 88 93 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BC4DB48920, 16 bytes long.
 Data: <`&#147;&#180;M&#188;           > 60 93 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BC4DB48B50, 16 bytes long.
 Data: <8&#147;&#180;M&#188;           > 38 93 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BC4DB48D80, 16 bytes long.
 Data: < &#147;&#180;M&#188;           > 10 93 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BC4DB48290, 16 bytes long.
 Data: <&#232;&#146;&#180;M&#188;           > E8 92 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BC4DB485B0, 16 bytes long.
 Data: <&#192;&#146;&#180;M&#188;           > C0 92 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BC4DB48F60, 16 bytes long.
 Data: <  &#180;M&#188;           > 80 81 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BC4DB48180, 40 bytes long.
 Data: <` &#180;M&#188;   &#176;&#192;&#135;O&#188;   > 60 8F B4 4D BC 01 00 00 B0 C0 87 4F BC 01 00 00 
{267} normal block at 0x000001BC4DB48470, 16 bytes long.
 Data: <&#160;&#146;&#180;M&#188;           > A0 92 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BC4DB48380, 16 bytes long.
 Data: <x&#146;&#180;M&#188;           > 78 92 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BC4DB3E9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001BC4DB48560, 16 bytes long.
 Data: <P&#146;&#180;M&#188;           > 50 92 B4 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BC4DB49250, 992 bytes long.
 Data: <`&#133;&#180;M&#188;   &#224;&#233;&#179;M&#188;   > 60 85 B4 4D BC 01 00 00 E0 E9 B3 4D BC 01 00 00 
{99} normal block at 0x000001BC4DB3EA40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001BC4DB3FCD0, 16 bytes long.
 Data: <  &#179;M&#188;           > 20 04 B3 4D BC 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001BC4DB30420, 40 bytes long.
 Data: <&#208;&#252;&#179;M&#188;   @&#234;&#179;M&#188;   > D0 FC B3 4D BC 01 00 00 40 EA B3 4D BC 01 00 00 
{76} normal block at 0x000001BC4DB40770, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001BC4DB3FE60, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001BC4DB405E0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001BC4DB40360, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BC4DB40270, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BC4DB40540, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BC4DB40450, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BC4DB3FC30, 16 bytes long.
 Data: <    &#247;           > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BC4DB40220, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BC4DB40130, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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