Task 38664383

Name test_505-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1356_0
Workunit 31607537
Created 24 Oct 2026, 23:33:17 UTC
Sent 24 Oct 2026, 23:34:20 UTC
Report deadline 29 Oct 2026, 23:34:20 UTC
Received 25 Oct 2026, 1:03:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631132
Run time 53 min 19 sec
CPU time 53 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.48 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:35:27 (25248): wrapper (7.9.26016): starting
08:35:27 (25248): 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
08:35:28 (25248): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:35:28 (25248): 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\16\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\16\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
09:01:47 (25248): C:/Windows/system32/cmd.exe exited; CPU time 3199.546875
09:01:47 (25248): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27588035 bytes.
Dumping objects ->
{3835523} normal block at 0x0000018AC9CEC490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x0000018AC9CED060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x0000018AC9CECC00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835490} normal block at 0x0000018AC9CECCE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000018AC7D048C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835448} normal block at 0x0000018AC9D35A00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x0000018AC9D92F00, 180 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) : {3835434} normal block at 0x0000018AC7CFF5E0, 8 bytes long.
 Data: <  &#205;&#199;    > 00 00 CD C7 8A 01 00 00 
{3834732} normal block at 0x0000018AC9D93590, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834057} normal block at 0x0000018AC7CFF680, 8 bytes long.
 Data: <&#176;A&#217;&#201;    > B0 41 D9 C9 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018AC7D01010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018AC7CF5E20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000018AC7D06250, 16 bytes long.
 Data: <hh&#208;&#199;            > 68 68 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018AC7D06200, 16 bytes long.
 Data: <@h&#208;&#199;            > 40 68 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018AC7CFFE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000018AC7D059E0, 16 bytes long.
 Data: < h&#208;&#199;            > 18 68 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018AC7D05AD0, 16 bytes long.
 Data: < g&#208;&#199;            > F0 67 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018AC7D05DF0, 16 bytes long.
 Data: <&#200;g&#208;&#199;            > C8 67 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018AC7D060C0, 16 bytes long.
 Data: < g&#208;&#199;            > A0 67 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018AC7D04CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000018AC7D05A30, 16 bytes long.
 Data: <x&#181;&#206;&#199;            > 78 B5 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018AC7D00640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000018AC7D06020, 16 bytes long.
 Data: <P&#181;&#206;&#199;            > 50 B5 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018AC7D05D00, 16 bytes long.
 Data: <(&#181;&#206;&#199;            > 28 B5 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018AC7D05580, 16 bytes long.
 Data: < &#181;&#206;&#199;            > 00 B5 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018AC7D06430, 16 bytes long.
 Data: <&#216;&#180;&#206;&#199;            > D8 B4 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018AC7D062F0, 16 bytes long.
 Data: <&#176;&#180;&#206;&#199;            > B0 B4 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018AC7D06110, 16 bytes long.
 Data: < &#180;&#206;&#199;            > 88 B4 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018AC7D000A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000018AC7D055D0, 16 bytes long.
 Data: <`&#180;&#206;&#199;            > 60 B4 CE C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018AC7CEB460, 320 bytes long.
 Data: <&#208;U&#208;&#199;      &#208;&#199;    > D0 55 D0 C7 8A 01 00 00 A0 00 D0 C7 8A 01 00 00 
{276} normal block at 0x0000018AC7D064D0, 16 bytes long.
 Data: < g&#208;&#199;            > 80 67 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018AC7D05C60, 16 bytes long.
 Data: <Xg&#208;&#199;            > 58 67 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018AC7CFFF80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000018AC7D05F80, 16 bytes long.
 Data: <0g&#208;&#199;            > 30 67 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018AC7CFF7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000018AC7D063E0, 16 bytes long.
 Data: <xf&#208;&#199;            > 78 66 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018AC7D05C10, 16 bytes long.
 Data: <Pf&#208;&#199;            > 50 66 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018AC7D05F30, 16 bytes long.
 Data: <(f&#208;&#199;            > 28 66 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018AC7D05A80, 16 bytes long.
 Data: < f&#208;&#199;            > 00 66 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018AC7D05BC0, 16 bytes long.
 Data: <&#216;e&#208;&#199;            > D8 65 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018AC7D05CB0, 16 bytes long.
 Data: <&#176;e&#208;&#199;            > B0 65 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018AC7D05FD0, 16 bytes long.
 Data: < J&#208;&#199;            > 80 4A D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018AC7D04A80, 40 bytes long.
 Data: <&#208;_&#208;&#199;     Z&#211;&#201;    > D0 5F D0 C7 8A 01 00 00 00 5A D3 C9 8A 01 00 00 
{262} normal block at 0x0000018AC7D05800, 16 bytes long.
 Data: < e&#208;&#199;            > 90 65 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018AC7D06390, 16 bytes long.
 Data: <he&#208;&#199;            > 68 65 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018AC7CFFFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000018AC7D05E90, 16 bytes long.
 Data: <@e&#208;&#199;            > 40 65 D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018AC7D06540, 992 bytes long.
 Data: < ^&#208;&#199;      &#207;&#199;    > 90 5E D0 C7 8A 01 00 00 E0 FF CF C7 8A 01 00 00 
{94} normal block at 0x0000018AC7D00040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000018AC7CFF590, 16 bytes long.
 Data: <@L&#208;&#199;            > 40 4C D0 C7 8A 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000018AC7D04C40, 40 bytes long.
 Data: <  &#207;&#199;    @ &#208;&#199;    > 90 F5 CF C7 8A 01 00 00 40 00 D0 C7 8A 01 00 00 
{69} normal block at 0x0000018AC7CFF2C0, 16 bytes long.
 Data: <   &#166;            > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018AC7CFF040, 16 bytes long.
 Data: <@  &#166;            > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018AC7CFE7D0, 16 bytes long.
 Data: < W &#166;            > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018AC7CFEEB0, 16 bytes long.
 Data: <&#216;W &#166;            > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018AC7CFEB40, 16 bytes long.
 Data: <P  &#166;            > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018AC7CFF130, 16 bytes long.
 Data: <0  &#166;            > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018AC7CFEFF0, 16 bytes long.
 Data: <   &#166;            > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018AC7CFEB90, 16 bytes long.
 Data: <   &#166;            > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018AC7CFF450, 16 bytes long.
 Data: <p  &#166;            > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018AC7CFED70, 16 bytes long.
 Data: < &#192; &#166;            > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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