Task 38681044

Name test_970-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8223_0
Workunit 31622733
Created 27 Oct 2026, 2:22:47 UTC
Sent 27 Oct 2026, 2:22:50 UTC
Report deadline 1 Nov 2026, 2:22:50 UTC
Received 27 Oct 2026, 3:13:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 39 min 56 sec
CPU time 36 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 814.06 MB
Peak swap size 9.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:35:16 (15372): wrapper (7.9.26016): starting
19:35:16 (15372): 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
19:35:17 (15372): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:35:17 (15372): 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
20:13:25 (15372): C:/Windows/system32/cmd.exe exited; CPU time 2168.984375
20:13:25 (15372): 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: 59176109 bytes.
Dumping objects ->
{3835516} normal block at 0x00000267C4733330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x00000267C4733F00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x00000267C4733BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x00000267C2967040, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000267C2966E80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x00000267C47AB690, 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) : {3835428} normal block at 0x00000267C295F190, 8 bytes long.
 Data: <   &#195;g   > 00 00 04 C3 67 02 00 00 
{3833971} normal block at 0x00000267C295F7D0, 8 bytes long.
 Data: < &#234;&#163;&#194;g   > 80 EA A3 C2 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000267C2960FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000267C2957C70, 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 0x00000267C2967C00, 16 bytes long.
 Data: <&#184;&#135;&#150;&#194;g           > B8 87 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000267C2968150, 16 bytes long.
 Data: < &#135;&#150;&#194;g           > 90 87 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000267C29614E0, 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 0x00000267C2967930, 16 bytes long.
 Data: <h&#135;&#150;&#194;g           > 68 87 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000267C2968240, 16 bytes long.
 Data: <@&#135;&#150;&#194;g           > 40 87 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000267C2968330, 16 bytes long.
 Data: < &#135;&#150;&#194;g           > 18 87 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000267C29681F0, 16 bytes long.
 Data: <&#240;&#134;&#150;&#194;g           > F0 86 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000267C29670B0, 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 0x00000267C2967840, 16 bytes long.
 Data: <  &#149;&#194;g           > 18 0D 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000267C2961A20, 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 0x00000267C29677F0, 16 bytes long.
 Data: <&#240; &#149;&#194;g           > F0 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000267C2967890, 16 bytes long.
 Data: <&#200; &#149;&#194;g           > C8 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000267C29683D0, 16 bytes long.
 Data: <&#160; &#149;&#194;g           > A0 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000267C29682E0, 16 bytes long.
 Data: <x &#149;&#194;g           > 78 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000267C2968060, 16 bytes long.
 Data: <P &#149;&#194;g           > 50 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000267C29675C0, 16 bytes long.
 Data: <( &#149;&#194;g           > 28 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000267C2961660, 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 0x00000267C2967DE0, 16 bytes long.
 Data: <  &#149;&#194;g           > 00 0C 95 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000267C2950C00, 320 bytes long.
 Data: <&#224;}&#150;&#194;g   ` &#150;&#194;g   > E0 7D 96 C2 67 02 00 00 60 16 96 C2 67 02 00 00 
{281} normal block at 0x00000267C2967CA0, 16 bytes long.
 Data: <&#208;&#134;&#150;&#194;g           > D0 86 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000267C29676B0, 16 bytes long.
 Data: <&#168;&#134;&#150;&#194;g           > A8 86 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000267C29623E0, 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 0x00000267C29678E0, 16 bytes long.
 Data: < &#134;&#150;&#194;g           > 80 86 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000267C2961D80, 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 0x00000267C29677A0, 16 bytes long.
 Data: <&#200;&#133;&#150;&#194;g           > C8 85 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000267C2968010, 16 bytes long.
 Data: <&#160;&#133;&#150;&#194;g           > A0 85 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000267C2967570, 16 bytes long.
 Data: <x&#133;&#150;&#194;g           > 78 85 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000267C2967A70, 16 bytes long.
 Data: <P&#133;&#150;&#194;g           > 50 85 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000267C29681A0, 16 bytes long.
 Data: <(&#133;&#150;&#194;g           > 28 85 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000267C2967D90, 16 bytes long.
 Data: < &#133;&#150;&#194;g           > 00 85 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000267C2967FC0, 16 bytes long.
 Data: <pr&#150;&#194;g           > 70 72 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000267C2967270, 40 bytes long.
 Data: <&#192; &#150;&#194;g    &#182;z&#196;g   > C0 7F 96 C2 67 02 00 00 90 B6 7A C4 67 02 00 00 
{267} normal block at 0x00000267C2967D40, 16 bytes long.
 Data: <&#224;&#132;&#150;&#194;g           > E0 84 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000267C2967660, 16 bytes long.
 Data: <&#184;&#132;&#150;&#194;g           > B8 84 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000267C2962080, 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 0x00000267C2967F70, 16 bytes long.
 Data: < &#132;&#150;&#194;g           > 90 84 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000267C2968490, 992 bytes long.
 Data: <p &#150;&#194;g     &#150;&#194;g   > 70 7F 96 C2 67 02 00 00 80 20 96 C2 67 02 00 00 
{99} normal block at 0x00000267C2961CC0, 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 0x00000267C295EF60, 16 bytes long.
 Data: <&#192;l&#150;&#194;g           > C0 6C 96 C2 67 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000267C2966CC0, 40 bytes long.
 Data: <`&#239;&#149;&#194;g   &#192; &#150;&#194;g   > 60 EF 95 C2 67 02 00 00 C0 1C 96 C2 67 02 00 00 
{76} normal block at 0x00000267C295FE60, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000267C295FDC0, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000267C295F730, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000267C295F0F0, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000267C295F690, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000267C295F0A0, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000267C295FD20, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000267C295F050, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000267C295F410, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000267C295EFB0, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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