Task 38674695

Name test_698-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2961_1
Workunit 31616406
Created 26 Oct 2026, 6:05:12 UTC
Sent 26 Oct 2026, 6:05:16 UTC
Report deadline 31 Oct 2026, 6:05:16 UTC
Received 26 Oct 2026, 8:04:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 32 min
CPU time 31 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.95 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:32:58 (30568): wrapper (7.9.26016): starting
02:32:58 (30568): 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
02:32:59 (30568): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:32:59 (30568): 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
03:04:14 (30568): C:/Windows/system32/cmd.exe exited; CPU time 1874.343750
03:04:14 (30568): 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: 26056543 bytes.
Dumping objects ->
{3835231} normal block at 0x000001E81CF45000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000001E81CF44350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001E81CF44820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x000001E81B0D47E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001E81B0D4620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x000001E81CEE3A40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x000001E81CEFEDD0, 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) : {3835142} normal block at 0x000001E81B0CEDC0, 8 bytes long.
 Data: <  V &#232;   > 00 00 56 1B E8 01 00 00 
{3834540} normal block at 0x000001E81CEFE7A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001E81B0CF310, 8 bytes long.
 Data: <PR&#247; &#232;   > 50 52 F7 1C E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E81B0D0980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E81B0C6520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001E81B0D5B10, 16 bytes long.
 Data: <&#200;f  &#232;           > C8 66 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E81B0D6330, 16 bytes long.
 Data: <&#160;f  &#232;           > A0 66 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E81B0D0410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001E81B0D62E0, 16 bytes long.
 Data: <xf  &#232;           > 78 66 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E81B0D6290, 16 bytes long.
 Data: <Pf  &#232;           > 50 66 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E81B0D5D40, 16 bytes long.
 Data: <(f  &#232;           > 28 66 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E81B0D5610, 16 bytes long.
 Data: < f  &#232;           > 00 66 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E81B0D4BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001E81B0D58E0, 16 bytes long.
 Data: <&#184;   &#232;           > B8 8F 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E81B0D0530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001E81B0D5520, 16 bytes long.
 Data: <    &#232;           > 90 8F 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E81B0D5CA0, 16 bytes long.
 Data: <h   &#232;           > 68 8F 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E81B0D6240, 16 bytes long.
 Data: <@   &#232;           > 40 8F 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E81B0D5C50, 16 bytes long.
 Data: <    &#232;           > 18 8F 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E81B0D61F0, 16 bytes long.
 Data: <&#240;&#142;  &#232;           > F0 8E 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E81B0D5980, 16 bytes long.
 Data: <&#200;&#142;  &#232;           > C8 8E 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E81B0CFED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001E81B0D6100, 16 bytes long.
 Data: <&#160;&#142;  &#232;           > A0 8E 0C 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E81B0C8EA0, 320 bytes long.
 Data: < a  &#232;   &#208;&#254;  &#232;   > 00 61 0D 1B E8 01 00 00 D0 FE 0C 1B E8 01 00 00 
{275} normal block at 0x000001E81B0D60B0, 16 bytes long.
 Data: <&#224;e  &#232;           > E0 65 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E81B0D61A0, 16 bytes long.
 Data: <&#184;e  &#232;           > B8 65 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E81B0CFBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001E81B0D5430, 16 bytes long.
 Data: < e  &#232;           > 90 65 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E81B0CFC30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001E81B0D55C0, 16 bytes long.
 Data: <&#216;d  &#232;           > D8 64 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E81B0D5C00, 16 bytes long.
 Data: <&#176;d  &#232;           > B0 64 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E81B0D6010, 16 bytes long.
 Data: < d  &#232;           > 88 64 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E81B0D5B60, 16 bytes long.
 Data: <`d  &#232;           > 60 64 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E81B0D5BB0, 16 bytes long.
 Data: <8d  &#232;           > 38 64 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E81B0D5CF0, 16 bytes long.
 Data: < d  &#232;           > 10 64 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E81B0D5A20, 16 bytes long.
 Data: < F  &#232;           > 90 46 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E81B0D4690, 40 bytes long.
 Data: < Z  &#232;   @:&#238; &#232;   > 20 5A 0D 1B E8 01 00 00 40 3A EE 1C E8 01 00 00 
{261} normal block at 0x000001E81B0D6150, 16 bytes long.
 Data: <&#240;c  &#232;           > F0 63 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E81B0D56B0, 16 bytes long.
 Data: <&#200;c  &#232;           > C8 63 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E81B0CF870, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001E81B0D5FC0, 16 bytes long.
 Data: <&#160;c  &#232;           > A0 63 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E81B0D63A0, 992 bytes long.
 Data: <&#192;_  &#232;   p&#248;  &#232;   > C0 5F 0D 1B E8 01 00 00 70 F8 0C 1B E8 01 00 00 
{93} normal block at 0x000001E81B0CF750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001E81B0CF2C0, 16 bytes long.
 Data: <&#160;I  &#232;           > A0 49 0D 1B E8 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E81B0D49A0, 40 bytes long.
 Data: <&#192;&#242;  &#232;   P&#247;  &#232;   > C0 F2 0C 1B E8 01 00 00 50 F7 0C 1B E8 01 00 00 
{70} normal block at 0x000001E81B0CF270, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E81B0CEAF0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E81B0CF090, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E81B0CF1D0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E81B0CE780, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E81B0CEA00, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E81B0CEAA0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E81B0CED70, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E81B0CF040, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E81B0CF400, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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