Task 38681443

Name test_361-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9965_0
Workunit 31623108
Created 27 Oct 2026, 4:01:45 UTC
Sent 27 Oct 2026, 4:01:47 UTC
Report deadline 1 Nov 2026, 4:01:47 UTC
Received 27 Oct 2026, 6:09:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 31 min 42 sec
CPU time 27 min 26 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 763.45 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>
01:38:03 (5692): wrapper (7.9.26016): starting
01:38:03 (5692): 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
01:38:05 (5692): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:38:05 (5692): 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
02:08:34 (5692): C:/Windows/system32/cmd.exe exited; CPU time 1646.250000
02:08:34 (5692): 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: 31648635 bytes.
Dumping objects ->
{3835536} normal block at 0x000002079472CB30, 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 0x0000020792A74EC0, 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 0x0000020792A74E50, 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 0x0000020792A74DE0, 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 0x0000020792A74C20, 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 0x0000020794777040, 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 0x0000020792AD9DD0, 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 0x0000020792A6EAB0, 8 bytes long.
 Data: <  &#159;&#146;    > 00 00 9F 92 07 02 00 00 
{3834695} normal block at 0x0000020792ADA5F0, 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 0x0000020792A6E970, 8 bytes long.
 Data: < R &#148;    > 90 52 80 94 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020792A70B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020792A661A0, 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 0x0000020792A75F10, 16 bytes long.
 Data: <&#184;f&#167;&#146;            > B8 66 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020792A75970, 16 bytes long.
 Data: < f&#167;&#146;            > 90 66 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020792A6FD70, 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 0x0000020792A75420, 16 bytes long.
 Data: <hf&#167;&#146;            > 68 66 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020792A75920, 16 bytes long.
 Data: <@f&#167;&#146;            > 40 66 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020792A75E70, 16 bytes long.
 Data: < f&#167;&#146;            > 18 66 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020792A75C90, 16 bytes long.
 Data: <&#240;e&#167;&#146;            > F0 65 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020792A74910, 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 0x0000020792A758D0, 16 bytes long.
 Data: <8 &#166;&#146;            > 38 90 A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020792A701F0, 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 0x0000020792A75790, 16 bytes long.
 Data: <  &#166;&#146;            > 10 90 A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020792A75E20, 16 bytes long.
 Data: <&#232; &#166;&#146;            > E8 8F A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020792A760A0, 16 bytes long.
 Data: <&#192; &#166;&#146;            > C0 8F A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020792A75BF0, 16 bytes long.
 Data: <  &#166;&#146;            > 98 8F A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020792A75650, 16 bytes long.
 Data: <p &#166;&#146;            > 70 8F A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020792A75880, 16 bytes long.
 Data: <H &#166;&#146;            > 48 8F A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020792A70310, 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 0x0000020792A75600, 16 bytes long.
 Data: <  &#166;&#146;            > 20 8F A6 92 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020792A68F20, 320 bytes long.
 Data: < V&#167;&#146;      &#167;&#146;    > 00 56 A7 92 07 02 00 00 10 03 A7 92 07 02 00 00 
{277} normal block at 0x0000020792A761E0, 16 bytes long.
 Data: <&#208;e&#167;&#146;            > D0 65 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020792A755B0, 16 bytes long.
 Data: <&#168;e&#167;&#146;            > A8 65 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020792A70250, 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 0x0000020792A75AB0, 16 bytes long.
 Data: < e&#167;&#146;            > 80 65 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020792A6FF50, 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 0x0000020792A75DD0, 16 bytes long.
 Data: <&#200;d&#167;&#146;            > C8 64 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020792A75740, 16 bytes long.
 Data: <&#160;d&#167;&#146;            > A0 64 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020792A757E0, 16 bytes long.
 Data: <xd&#167;&#146;            > 78 64 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020792A756F0, 16 bytes long.
 Data: <Pd&#167;&#146;            > 50 64 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020792A75D80, 16 bytes long.
 Data: <(d&#167;&#146;            > 28 64 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020792A756A0, 16 bytes long.
 Data: < d&#167;&#146;            > 00 64 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020792A76320, 16 bytes long.
 Data: < M&#167;&#146;            > 00 4D A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020792A74D00, 40 bytes long.
 Data: < c&#167;&#146;    @pw&#148;    > 20 63 A7 92 07 02 00 00 40 70 77 94 07 02 00 00 
{263} normal block at 0x0000020792A75EC0, 16 bytes long.
 Data: <&#224;c&#167;&#146;            > E0 63 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020792A76050, 16 bytes long.
 Data: <&#184;c&#167;&#146;            > B8 63 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020792A6F890, 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 0x0000020792A75830, 16 bytes long.
 Data: < c&#167;&#146;            > 90 63 A7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020792A76390, 992 bytes long.
 Data: <0X&#167;&#146;     &#248;&#166;&#146;    > 30 58 A7 92 07 02 00 00 90 F8 A6 92 07 02 00 00 
{95} normal block at 0x0000020792A70790, 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 0x0000020792A6F550, 16 bytes long.
 Data: <@&#225;&#165;&#146;            > 40 E1 A5 92 07 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020792A5E140, 40 bytes long.
 Data: <P&#245;&#166;&#146;      &#167;&#146;    > 50 F5 A6 92 07 02 00 00 90 07 A7 92 07 02 00 00 
{72} normal block at 0x0000020792A6F190, 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 0x0000020792A6F460, 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 0x0000020792A6EA10, 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 0x0000020792A6EE70, 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 0x0000020792A6F280, 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 0x0000020792A6F140, 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 0x0000020792A6EC40, 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 0x0000020792A6EA60, 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 0x0000020792A6E880, 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 0x0000020792A6E8D0, 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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