Task 38664861

Name test_858-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7155_0
Workunit 31607986
Created 25 Oct 2026, 0:16:55 UTC
Sent 25 Oct 2026, 0:17:02 UTC
Report deadline 30 Oct 2026, 0:17:02 UTC
Received 25 Oct 2026, 2:03:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 45 min 31 sec
CPU time 41 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 496.95 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:18:12 (47380): wrapper (7.9.26016): starting
19:18:12 (47380): 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
19:18:16 (47380): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:18:16 (47380): 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
20:02:21 (47380): C:/Windows/system32/cmd.exe exited; CPU time 2487.203125
20:02:21 (47380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 63108817 bytes.
Dumping objects ->
{3835490} normal block at 0x000002B6F3CE4D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002B6F3CE4CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000002B6F3CE51E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x000002B6F3CE5100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000002B6F3CE5090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x000002B6F597B0F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835402} normal block at 0x000002B6F3CDD3F0, 8 bytes long.
 Data: <   &#244;&#182;   > 00 00 07 F4 B6 02 00 00 
{3833961} normal block at 0x000002B6F3CDE0C0, 8 bytes long.
 Data: <&#176;&#225; &#245;&#182;   > B0 E1 98 F5 B6 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B6F3CE1F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B6F3CCCCA0, 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 0x000002B6F3CE5F00, 16 bytes long.
 Data: <&#184;j&#206;&#243;&#182;           > B8 6A CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B6F3CE5EB0, 16 bytes long.
 Data: < j&#206;&#243;&#182;           > 90 6A CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B6F3CDFD30, 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 0x000002B6F3CE60E0, 16 bytes long.
 Data: <hj&#206;&#243;&#182;           > 68 6A CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B6F3CE5870, 16 bytes long.
 Data: <@j&#206;&#243;&#182;           > 40 6A CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B6F3CE6720, 16 bytes long.
 Data: < j&#206;&#243;&#182;           > 18 6A CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B6F3CE6400, 16 bytes long.
 Data: <&#240;i&#206;&#243;&#182;           > F0 69 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B6F3CE5170, 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 0x000002B6F3CE6090, 16 bytes long.
 Data: < &#247;&#204;&#243;&#182;           > 88 F7 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B6F3CDF610, 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 0x000002B6F3CE62C0, 16 bytes long.
 Data: <`&#247;&#204;&#243;&#182;           > 60 F7 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B6F3CE63B0, 16 bytes long.
 Data: <8&#247;&#204;&#243;&#182;           > 38 F7 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B6F3CE5E60, 16 bytes long.
 Data: < &#247;&#204;&#243;&#182;           > 10 F7 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B6F3CE6270, 16 bytes long.
 Data: <&#232;&#246;&#204;&#243;&#182;           > E8 F6 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B6F3CE5AA0, 16 bytes long.
 Data: <&#192;&#246;&#204;&#243;&#182;           > C0 F6 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B6F3CE5E10, 16 bytes long.
 Data: < &#246;&#204;&#243;&#182;           > 98 F6 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B6F3CDFC10, 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 0x000002B6F3CE5B90, 16 bytes long.
 Data: <p&#246;&#204;&#243;&#182;           > 70 F6 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B6F3CCF670, 320 bytes long.
 Data: < [&#206;&#243;&#182;    &#252;&#205;&#243;&#182;   > 90 5B CE F3 B6 02 00 00 10 FC CD F3 B6 02 00 00 
{276} normal block at 0x000002B6F3CE5DC0, 16 bytes long.
 Data: <&#208;i&#206;&#243;&#182;           > D0 69 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B6F3CE5C80, 16 bytes long.
 Data: <&#168;i&#206;&#243;&#182;           > A8 69 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B6F3CDFCD0, 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 0x000002B6F3CE5FF0, 16 bytes long.
 Data: < i&#206;&#243;&#182;           > 80 69 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B6F3CDF1F0, 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 0x000002B6F3CE66D0, 16 bytes long.
 Data: <&#200;h&#206;&#243;&#182;           > C8 68 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B6F3CE6220, 16 bytes long.
 Data: <&#160;h&#206;&#243;&#182;           > A0 68 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B6F3CE6450, 16 bytes long.
 Data: <xh&#206;&#243;&#182;           > 78 68 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B6F3CE6040, 16 bytes long.
 Data: <Ph&#206;&#243;&#182;           > 50 68 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B6F3CE5CD0, 16 bytes long.
 Data: <(h&#206;&#243;&#182;           > 28 68 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B6F3CE6180, 16 bytes long.
 Data: < h&#206;&#243;&#182;           > 00 68 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B6F3CE6360, 16 bytes long.
 Data: <&#240;M&#206;&#243;&#182;           > F0 4D CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B6F3CE4DF0, 40 bytes long.
 Data: <`c&#206;&#243;&#182;   &#240;&#176;&#151;&#245;&#182;   > 60 63 CE F3 B6 02 00 00 F0 B0 97 F5 B6 02 00 00 
{262} normal block at 0x000002B6F3CE6130, 16 bytes long.
 Data: <&#224;g&#206;&#243;&#182;           > E0 67 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B6F3CE5A50, 16 bytes long.
 Data: <&#184;g&#206;&#243;&#182;           > B8 67 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B6F3CDF910, 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 0x000002B6F3CE5D70, 16 bytes long.
 Data: < g&#206;&#243;&#182;           > 90 67 CE F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B6F3CE6790, 992 bytes long.
 Data: <p]&#206;&#243;&#182;    &#249;&#205;&#243;&#182;   > 70 5D CE F3 B6 02 00 00 10 F9 CD F3 B6 02 00 00 
{94} normal block at 0x000002B6F3CDF550, 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 0x000002B6F3CDD350, 16 bytes long.
 Data: < &#232;&#204;&#243;&#182;           > 20 E8 CC F3 B6 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002B6F3CCE820, 40 bytes long.
 Data: <P&#211;&#205;&#243;&#182;   P&#245;&#205;&#243;&#182;   > 50 D3 CD F3 B6 02 00 00 50 F5 CD F3 B6 02 00 00 
{71} normal block at 0x000002B6F3CDD300, 16 bytes long.
 Data: < &#234;\r&#247;           > 80 EA 5C 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B6F3CDD2B0, 16 bytes long.
 Data: <@&#233;\r&#247;           > 40 E9 5C 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B6F3CDE1B0, 16 bytes long.
 Data: <&#248;WYr&#247;           > F8 57 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B6F3CDD670, 16 bytes long.
 Data: <&#216;WYr&#247;           > D8 57 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B6F3CDDF30, 16 bytes long.
 Data: <P Yr&#247;           > 50 04 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B6F3CDD990, 16 bytes long.
 Data: <0 Yr&#247;           > 30 04 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B6F3CDE020, 16 bytes long.
 Data: <&#224; Yr&#247;           > E0 02 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B6F3CDDC10, 16 bytes long.
 Data: <  Yr&#247;           > 10 04 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B6F3CDDF80, 16 bytes long.
 Data: <p Yr&#247;           > 70 04 59 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B6F3CDD530, 16 bytes long.
 Data: < &#192;Wr&#247;           > 18 C0 57 72 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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