Task 38680940

Name test_779-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4924_0
Workunit 31622635
Created 27 Oct 2026, 2:07:14 UTC
Sent 27 Oct 2026, 2:07:18 UTC
Report deadline 1 Nov 2026, 2:07:18 UTC
Received 27 Oct 2026, 3:41:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 30 min 59 sec
CPU time 25 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.48 MB
Peak swap size 6.74 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:10:12 (7776): wrapper (7.9.26016): starting
21:10:12 (7776): 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
21:10:13 (7776): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:10:13 (7776): 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
21:40:24 (7776): C:/Windows/system32/cmd.exe exited; CPU time 1551.375000
21:40:24 (7776): 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: 27915333 bytes.
Dumping objects ->
{3835228} normal block at 0x0000012D72944230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000012D72944380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000012D729441C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000012D72944770, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000012D72944070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x0000012D745DA7F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000012D745EDF60, 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) : {3835139} normal block at 0x0000012D7293E660, 8 bytes long.
 Data: <  &#241;r-   > 00 00 F1 72 2D 01 00 00 
{3834539} normal block at 0x0000012D745EE6F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000012D7293EDE0, 8 bytes long.
 Data: <p4ct-   > 70 34 63 74 2D 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000012D72940720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012D7292F050, 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 0x0000012D72945E10, 16 bytes long.
 Data: <Hb&#148;r-           > 48 62 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012D72945140, 16 bytes long.
 Data: < b&#148;r-           > 20 62 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012D7293FAF0, 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 0x0000012D72945A50, 16 bytes long.
 Data: <&#248;a&#148;r-           > F8 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012D72945280, 16 bytes long.
 Data: <&#208;a&#148;r-           > D0 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012D72945050, 16 bytes long.
 Data: <&#168;a&#148;r-           > A8 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012D72945BE0, 16 bytes long.
 Data: < a&#148;r-           > 80 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012D729440E0, 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 0x0000012D72945500, 16 bytes long.
 Data: <x&#181;&#146;r-           > 78 B5 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012D7293F3D0, 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 0x0000012D729458C0, 16 bytes long.
 Data: <P&#181;&#146;r-           > 50 B5 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012D72945DC0, 16 bytes long.
 Data: <(&#181;&#146;r-           > 28 B5 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012D72945000, 16 bytes long.
 Data: < &#181;&#146;r-           > 00 B5 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012D72945CD0, 16 bytes long.
 Data: <&#216;&#180;&#146;r-           > D8 B4 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012D72945190, 16 bytes long.
 Data: <&#176;&#180;&#146;r-           > B0 B4 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012D72945EB0, 16 bytes long.
 Data: < &#180;&#146;r-           > 88 B4 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012D7293F6D0, 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 0x0000012D729453C0, 16 bytes long.
 Data: <`&#180;&#146;r-           > 60 B4 92 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012D7292B460, 320 bytes long.
 Data: <&#192;S&#148;r-   &#208;&#246;&#147;r-   > C0 53 94 72 2D 01 00 00 D0 F6 93 72 2D 01 00 00 
{276} normal block at 0x0000012D72944F60, 16 bytes long.
 Data: <`a&#148;r-           > 60 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012D72945320, 16 bytes long.
 Data: <8a&#148;r-           > 38 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012D7293FA90, 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 0x0000012D72945780, 16 bytes long.
 Data: < a&#148;r-           > 10 61 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012D7293F970, 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 0x0000012D72945730, 16 bytes long.
 Data: <X`&#148;r-           > 58 60 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012D729459B0, 16 bytes long.
 Data: <0`&#148;r-           > 30 60 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012D72945C80, 16 bytes long.
 Data: < `&#148;r-           > 08 60 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012D72945230, 16 bytes long.
 Data: <&#224;_&#148;r-           > E0 5F 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012D729450F0, 16 bytes long.
 Data: <&#184;_&#148;r-           > B8 5F 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012D72944FB0, 16 bytes long.
 Data: < _&#148;r-           > 90 5F 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012D72945D70, 16 bytes long.
 Data: <@E&#148;r-           > 40 45 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012D72944540, 40 bytes long.
 Data: <p]&#148;r-   &#240;&#167;]t-   > 70 5D 94 72 2D 01 00 00 F0 A7 5D 74 2D 01 00 00 
{262} normal block at 0x0000012D729452D0, 16 bytes long.
 Data: <p_&#148;r-           > 70 5F 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012D729451E0, 16 bytes long.
 Data: <H_&#148;r-           > 48 5F 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012D7293F370, 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 0x0000012D729454B0, 16 bytes long.
 Data: < _&#148;r-           > 20 5F 94 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012D72945F20, 992 bytes long.
 Data: <&#176;T&#148;r-   p&#243;&#147;r-   > B0 54 94 72 2D 01 00 00 70 F3 93 72 2D 01 00 00 
{94} normal block at 0x0000012D7293FF70, 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 0x0000012D7293F010, 16 bytes long.
 Data: <&#192;&#223;&#147;r-           > C0 DF 93 72 2D 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000012D7293DFC0, 40 bytes long.
 Data: < &#240;&#147;r-   p&#255;&#147;r-   > 10 F0 93 72 2D 01 00 00 70 FF 93 72 2D 01 00 00 
{71} normal block at 0x0000012D7293E0C0, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012D7293E9D0, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012D7293EE30, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012D7293EF20, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012D7293ED90, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012D7293E8E0, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012D7293E520, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012D7293EBB0, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012D7293E700, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012D7293EB60, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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