Task 38684584

Name test_904-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2920_0
Workunit 31626092
Created 27 Oct 2026, 17:03:08 UTC
Sent 27 Oct 2026, 17:03:13 UTC
Report deadline 1 Nov 2026, 17:03:13 UTC
Received 27 Oct 2026, 17:45:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 38 min 12 sec
CPU time 37 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.36 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:07:15 (33804): wrapper (7.9.26016): starting
18:07:15 (33804): 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
18:07:16 (33804): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:07:16 (33804): 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
18:44:37 (33804): C:/Windows/system32/cmd.exe exited; CPU time 2236.843750
18:44:37 (33804): 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: 47313027 bytes.
Dumping objects ->
{3835244} normal block at 0x000001764CEF6A60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001764CEF6D00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001764CEF6BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x000001764CEF7390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001764CEF6600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x000001764E98CCE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x000001764E9EDDF0, 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) : {3835155} normal block at 0x000001764CEC70C0, 8 bytes long.
 Data: <  vNv   > 00 00 76 4E 76 01 00 00 
{3834549} normal block at 0x000001764E9EE6E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001764CEC7430, 8 bytes long.
 Data: <`p&#167;Nv   > 60 70 A7 4E 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001764CED1D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001764CECD890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001764CED3350, 16 bytes long.
 Data: <XC&#237;Lv           > 58 43 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001764CED3B20, 16 bytes long.
 Data: <0C&#237;Lv           > 30 43 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001764CECC4D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001764CED38A0, 16 bytes long.
 Data: < C&#237;Lv           > 08 43 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001764CED3940, 16 bytes long.
 Data: <&#224;B&#237;Lv           > E0 42 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001764CED31C0, 16 bytes long.
 Data: <&#184;B&#237;Lv           > B8 42 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001764CED3260, 16 bytes long.
 Data: < B&#237;Lv           > 90 42 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001764CECDBA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001764CED2E00, 16 bytes long.
 Data: <x&#185;&#235;Lv           > 78 B9 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001764CECC2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001764CED3120, 16 bytes long.
 Data: <P&#185;&#235;Lv           > 50 B9 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001764CED3850, 16 bytes long.
 Data: <(&#185;&#235;Lv           > 28 B9 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001764CED2D60, 16 bytes long.
 Data: < &#185;&#235;Lv           > 00 B9 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001764CED3030, 16 bytes long.
 Data: <&#216;&#184;&#235;Lv           > D8 B8 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001764CED3210, 16 bytes long.
 Data: <&#176;&#184;&#235;Lv           > B0 B8 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001764CED38F0, 16 bytes long.
 Data: < &#184;&#235;Lv           > 88 B8 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001764CECC0B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001764CED2DB0, 16 bytes long.
 Data: <`&#184;&#235;Lv           > 60 B8 EB 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001764CEBB860, 320 bytes long.
 Data: <&#176;-&#237;Lv   &#176;&#192;&#236;Lv   > B0 2D ED 4C 76 01 00 00 B0 C0 EC 4C 76 01 00 00 
{278} normal block at 0x000001764CED3710, 16 bytes long.
 Data: <pB&#237;Lv           > 70 42 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001764CED36C0, 16 bytes long.
 Data: <HB&#237;Lv           > 48 42 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001764CECC290, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001764CED2FE0, 16 bytes long.
 Data: < B&#237;Lv           > 20 42 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001764CECBDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001764CED3AD0, 16 bytes long.
 Data: <hA&#237;Lv           > 68 41 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001764CED3670, 16 bytes long.
 Data: <@A&#237;Lv           > 40 41 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001764CED2CC0, 16 bytes long.
 Data: < A&#237;Lv           > 18 41 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001764CED3620, 16 bytes long.
 Data: <&#240;@&#237;Lv           > F0 40 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001764CED2EF0, 16 bytes long.
 Data: <&#200;@&#237;Lv           > C8 40 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001764CED3800, 16 bytes long.
 Data: <&#160;@&#237;Lv           > A0 40 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001764CED2F90, 16 bytes long.
 Data: < &#220;&#236;Lv           > 10 DC EC 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001764CECDC10, 40 bytes long.
 Data: < /&#237;Lv   &#224;&#204; Nv   > 90 2F ED 4C 76 01 00 00 E0 CC 98 4E 76 01 00 00 
{264} normal block at 0x000001764CED3080, 16 bytes long.
 Data: < @&#237;Lv           > 80 40 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001764CED3BC0, 16 bytes long.
 Data: <X@&#237;Lv           > 58 40 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001764CECBC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001764CED30D0, 16 bytes long.
 Data: <0@&#237;Lv           > 30 40 ED 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001764CED4030, 992 bytes long.
 Data: <&#208;0&#237;Lv   0&#188;&#236;Lv   > D0 30 ED 4C 76 01 00 00 30 BC EC 4C 76 01 00 00 
{96} normal block at 0x000001764CECB9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001764CEC72A0, 16 bytes long.
 Data: < &#224;&#236;Lv           > 00 E0 EC 4C 76 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001764CECE000, 40 bytes long.
 Data: <&#160;r&#236;Lv   &#240;&#185;&#236;Lv   > A0 72 EC 4C 76 01 00 00 F0 B9 EC 4C 76 01 00 00 
{73} normal block at 0x000001764CEC78E0, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001764CEC7980, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001764CEC6E40, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001764CEC6D50, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001764CEC7660, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001764CEC7250, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001764CEC7020, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001764CEC7570, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001764CEC73E0, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001764CEC7480, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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