Task 38696343

Name test_7-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6747_0
Workunit 31636979
Created 31 Oct 2026, 22:22:22 UTC
Sent 31 Oct 2026, 22:22:28 UTC
Report deadline 5 Nov 2026, 22:22:28 UTC
Received 1 Nov 2026, 21:54:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 49 min 3 sec
CPU time 47 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.72 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:05:45 (30856): wrapper (7.9.26016): starting
13:05:45 (30856): 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
13:05:46 (30856): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:05:46 (30856): 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\2\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\2\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
13:54:07 (30856): C:/Windows/system32/cmd.exe exited; CPU time 2857.125000
13:54:07 (30856): 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: 87620585 bytes.
Dumping objects ->
{3835638} normal block at 0x00000252C4228E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x00000252C4229100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x00000252C4228680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x00000252C4228990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x00000252C4228BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x00000252C4180290, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x00000252C5D40D90, 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) : {3835549} normal block at 0x00000252C414BF30, 8 bytes long.
 Data: <  L&#196;R   > 00 00 4C C4 52 02 00 00 
{3834742} normal block at 0x00000252C5D41C00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x00000252C414BEE0, 8 bytes long.
 Data: <&#176;u&#216;&#197;R   > B0 75 D8 C5 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000252C41518D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000252C4148570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x00000252C4157AD0, 16 bytes long.
 Data: <&#216;&#139; &#196;R           > D8 8B 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000252C4157C60, 16 bytes long.
 Data: <&#176;&#139; &#196;R           > B0 8B 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000252C41537C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x00000252C41586B0, 16 bytes long.
 Data: < &#139; &#196;R           > 88 8B 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000252C4158610, 16 bytes long.
 Data: <`&#139; &#196;R           > 60 8B 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000252C4158250, 16 bytes long.
 Data: <8&#139; &#196;R           > 38 8B 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000252C41585C0, 16 bytes long.
 Data: < &#139; &#196;R           > 10 8B 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000252C41562D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x00000252C4158430, 16 bytes long.
 Data: <h  &#196;R           > 68 02 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000252C41538E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x00000252C4158200, 16 bytes long.
 Data: <@  &#196;R           > 40 02 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000252C4158070, 16 bytes long.
 Data: <   &#196;R           > 18 02 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000252C4157C10, 16 bytes long.
 Data: <&#240;  &#196;R           > F0 01 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000252C4157E90, 16 bytes long.
 Data: <&#200;  &#196;R           > C8 01 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000252C4157DA0, 16 bytes long.
 Data: <&#160;  &#196;R           > A0 01 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000252C4158660, 16 bytes long.
 Data: <x  &#196;R           > 78 01 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000252C4153D60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x00000252C4158160, 16 bytes long.
 Data: <P  &#196;R           > 50 01 14 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000252C4140150, 320 bytes long.
 Data: <`  &#196;R   `= &#196;R   > 60 81 15 C4 52 02 00 00 60 3D 15 C4 52 02 00 00 
{289} normal block at 0x00000252C4157F80, 16 bytes long.
 Data: <&#240;&#138; &#196;R           > F0 8A 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000252C4158390, 16 bytes long.
 Data: <&#200;&#138; &#196;R           > C8 8A 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000252C4154000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x00000252C4157DF0, 16 bytes long.
 Data: <&#160;&#138; &#196;R           > A0 8A 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000252C4153A60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x00000252C4157A80, 16 bytes long.
 Data: <&#232;&#137; &#196;R           > E8 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000252C4157E40, 16 bytes long.
 Data: <&#192;&#137; &#196;R           > C0 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000252C41579E0, 16 bytes long.
 Data: < &#137; &#196;R           > 98 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000252C41584D0, 16 bytes long.
 Data: <p&#137; &#196;R           > 70 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000252C4157940, 16 bytes long.
 Data: <H&#137; &#196;R           > 48 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252C4157A30, 16 bytes long.
 Data: < &#137; &#196;R           > 20 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000252C41578F0, 16 bytes long.
 Data: <`b &#196;R           > 60 62 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000252C4156260, 40 bytes long.
 Data: <&#240;x &#196;R      &#196;R   > F0 78 15 C4 52 02 00 00 90 02 18 C4 52 02 00 00 
{275} normal block at 0x00000252C4157CB0, 16 bytes long.
 Data: < &#137; &#196;R           > 00 89 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252C4158750, 16 bytes long.
 Data: <&#216;  &#196;R           > D8 88 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000252C4154300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x00000252C4157D00, 16 bytes long.
 Data: <&#176;  &#196;R           > B0 88 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000252C41588B0, 992 bytes long.
 Data: < } &#196;R    C &#196;R   > 00 7D 15 C4 52 02 00 00 00 43 15 C4 52 02 00 00 
{107} normal block at 0x00000252C41542A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x00000252C414CC50, 16 bytes long.
 Data: <0` &#196;R           > 30 60 15 C4 52 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000252C4156030, 40 bytes long.
 Data: <P&#204; &#196;R   &#160;B &#196;R   > 50 CC 14 C4 52 02 00 00 A0 42 15 C4 52 02 00 00 
{84} normal block at 0x00000252C414C110, 16 bytes long.
 Data: < &#234;&#137;,&#246;           > 80 EA 89 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000252C414C9D0, 16 bytes long.
 Data: <@&#233;&#137;,&#246;           > 40 E9 89 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000252C414C340, 16 bytes long.
 Data: <&#248;W&#134;,&#246;           > F8 57 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000252C414C200, 16 bytes long.
 Data: <&#216;W&#134;,&#246;           > D8 57 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000252C414C070, 16 bytes long.
 Data: <P &#134;,&#246;           > 50 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000252C414C980, 16 bytes long.
 Data: <0 &#134;,&#246;           > 30 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000252C414C610, 16 bytes long.
 Data: <&#224; &#134;,&#246;           > E0 02 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000252C414C8E0, 16 bytes long.
 Data: <  &#134;,&#246;           > 10 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000252C414C020, 16 bytes long.
 Data: <p &#134;,&#246;           > 70 04 86 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000252C414CCF0, 16 bytes long.
 Data: < &#192;&#132;,&#246;           > 18 C0 84 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra