Task 38681055

Name test_409-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8877_0
Workunit 31622744
Created 27 Oct 2026, 2:25:53 UTC
Sent 27 Oct 2026, 2:25:59 UTC
Report deadline 1 Nov 2026, 2:25:59 UTC
Received 27 Oct 2026, 4:33:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 31 min 36 sec
CPU time 27 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.60 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:02:06 (15572): wrapper (7.9.26016): starting
00:02:06 (15572): 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
00:02:08 (15572): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:02:08 (15572): 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\30\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\30\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
00:32:29 (15572): C:/Windows/system32/cmd.exe exited; CPU time 1656.546875
00:32:29 (15572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 31655481 bytes.
Dumping objects ->
{3835536} normal block at 0x0000024BE27BCA50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000024BE0A34E80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000024BE0A34B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x0000024BE0A34A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000024BE0A34940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x0000024BE2809140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x0000024BE0A99F40, 140 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) : {3835447} normal block at 0x0000024BE0A2F5A0, 8 bytes long.
 Data: <  &#240;&#224;K   > 00 00 F0 E0 4B 02 00 00 
{3834695} normal block at 0x0000024BE0A9A0E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000024BE0A2F460, 8 bytes long.
 Data: <`S&#137;&#226;K   > 60 53 89 E2 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024BE0A30A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024BE0A26880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024BE0A35740, 16 bytes long.
 Data: <Xg&#163;&#224;K           > 58 67 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024BE0A35DD0, 16 bytes long.
 Data: <0g&#163;&#224;K           > 30 67 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024BE0A30230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024BE0A35CE0, 16 bytes long.
 Data: < g&#163;&#224;K           > 08 67 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024BE0A363C0, 16 bytes long.
 Data: <&#224;f&#163;&#224;K           > E0 66 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024BE0A362D0, 16 bytes long.
 Data: <&#184;f&#163;&#224;K           > B8 66 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024BE0A35A60, 16 bytes long.
 Data: < f&#163;&#224;K           > 90 66 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024BE0A349B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024BE0A35B50, 16 bytes long.
 Data: <&#184;&#231;&#162;&#224;K           > B8 E7 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024BE0A30650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024BE0A35D80, 16 bytes long.
 Data: < &#231;&#162;&#224;K           > 90 E7 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024BE0A35F10, 16 bytes long.
 Data: <h&#231;&#162;&#224;K           > 68 E7 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024BE0A359C0, 16 bytes long.
 Data: <@&#231;&#162;&#224;K           > 40 E7 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024BE0A36370, 16 bytes long.
 Data: < &#231;&#162;&#224;K           > 18 E7 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024BE0A356F0, 16 bytes long.
 Data: <&#240;&#230;&#162;&#224;K           > F0 E6 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024BE0A35EC0, 16 bytes long.
 Data: <&#200;&#230;&#162;&#224;K           > C8 E6 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024BE0A2FF30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024BE0A35FB0, 16 bytes long.
 Data: <&#160;&#230;&#162;&#224;K           > A0 E6 A2 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024BE0A2E6A0, 320 bytes long.
 Data: <&#176;_&#163;&#224;K   0&#255;&#162;&#224;K   > B0 5F A3 E0 4B 02 00 00 30 FF A2 E0 4B 02 00 00 
{277} normal block at 0x0000024BE0A35970, 16 bytes long.
 Data: <pf&#163;&#224;K           > 70 66 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024BE0A35BA0, 16 bytes long.
 Data: <Hf&#163;&#224;K           > 48 66 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024BE0A2FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024BE0A35B00, 16 bytes long.
 Data: < f&#163;&#224;K           > 20 66 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024BE0A307D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024BE0A35830, 16 bytes long.
 Data: <he&#163;&#224;K           > 68 65 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024BE0A35880, 16 bytes long.
 Data: <@e&#163;&#224;K           > 40 65 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024BE0A356A0, 16 bytes long.
 Data: < e&#163;&#224;K           > 18 65 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024BE0A35920, 16 bytes long.
 Data: <&#240;d&#163;&#224;K           > F0 64 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024BE0A35AB0, 16 bytes long.
 Data: <&#200;d&#163;&#224;K           > C8 64 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024BE0A35A10, 16 bytes long.
 Data: <&#160;d&#163;&#224;K           > A0 64 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024BE0A35C90, 16 bytes long.
 Data: <&#224;K&#163;&#224;K           > E0 4B A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024BE0A34BE0, 40 bytes long.
 Data: < \&#163;&#224;K   @&#145; &#226;K   > 90 5C A3 E0 4B 02 00 00 40 91 80 E2 4B 02 00 00 
{263} normal block at 0x0000024BE0A35E70, 16 bytes long.
 Data: < d&#163;&#224;K           > 80 64 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024BE0A35650, 16 bytes long.
 Data: <Xd&#163;&#224;K           > 58 64 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024BE0A2FF90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024BE0A360F0, 16 bytes long.
 Data: <0d&#163;&#224;K           > 30 64 A3 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024BE0A36430, 992 bytes long.
 Data: <&#240;`&#163;&#224;K    &#255;&#162;&#224;K   > F0 60 A3 E0 4B 02 00 00 90 FF A2 E0 4B 02 00 00 
{95} normal block at 0x0000024BE0A30710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024BE0A2EC40, 16 bytes long.
 Data: <@&#212;&#161;&#224;K           > 40 D4 A1 E0 4B 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024BE0A1D440, 40 bytes long.
 Data: <@&#236;&#162;&#224;K     &#163;&#224;K   > 40 EC A2 E0 4B 02 00 00 10 07 A3 E0 4B 02 00 00 
{72} normal block at 0x0000024BE0A2F730, 16 bytes long.
 Data: < &#234;&#215;&#243;&#246;           > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024BE0A2EAB0, 16 bytes long.
 Data: <@&#233;&#215;&#243;&#246;           > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024BE0A2F370, 16 bytes long.
 Data: <&#248;W&#212;&#243;&#246;           > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024BE0A2EF10, 16 bytes long.
 Data: <&#216;W&#212;&#243;&#246;           > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024BE0A2F5F0, 16 bytes long.
 Data: <P &#212;&#243;&#246;           > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024BE0A2F320, 16 bytes long.
 Data: <0 &#212;&#243;&#246;           > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024BE0A2F7D0, 16 bytes long.
 Data: <&#224; &#212;&#243;&#246;           > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024BE0A2F780, 16 bytes long.
 Data: <  &#212;&#243;&#246;           > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024BE0A2EA60, 16 bytes long.
 Data: <p &#212;&#243;&#246;           > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024BE0A2F500, 16 bytes long.
 Data: < &#192;&#210;&#243;&#246;           > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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