Task 38688212

Name test_468-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0109_0
Workunit 31629573
Created 28 Oct 2026, 12:25:13 UTC
Sent 28 Oct 2026, 12:25:15 UTC
Report deadline 2 Nov 2026, 12:25:15 UTC
Received 28 Oct 2026, 13:34:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 34 min 12 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.80 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>
13:00:38 (4768): wrapper (7.9.26016): starting
13:00:38 (4768): 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
13:00:39 (4768): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:00:39 (4768): 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:\BOINC2\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:\BOINC2\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
13:33:58 (4768): C:/Windows/system32/cmd.exe exited; CPU time 2016.703125
13:33:58 (4768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 37384673 bytes.
Dumping objects ->
{3835234} normal block at 0x0000024AD6644690, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x0000024AD8301830, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x0000024AD8301710, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x0000024AD8301290, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x0000024AD83011D0, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x0000024AD6644BD0, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x0000024AD82CE530, 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) : {3835145} normal block at 0x0000024AD663CD30, 8 bytes long.
 Data: <  &#174;&#214;J   > 00 00 AE D6 4A 02 00 00 
{3834543} normal block at 0x0000024AD82CE270, 102 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 0x0000024AD663D460, 8 bytes long.
 Data: <&#240;&#230;q&#214;J   > F0 E6 71 D6 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024AD663F700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024AD66364E0, 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 0x0000024AD6645E00, 16 bytes long.
 Data: <&#200;cd&#214;J           > C8 63 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024AD6645310, 16 bytes long.
 Data: <&#160;cd&#214;J           > A0 63 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024AD663DAB0, 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 0x0000024AD66453B0, 16 bytes long.
 Data: <xcd&#214;J           > 78 63 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024AD6645B30, 16 bytes long.
 Data: <Pcd&#214;J           > 50 63 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024AD6645B80, 16 bytes long.
 Data: <(cd&#214;J           > 28 63 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024AD66456D0, 16 bytes long.
 Data: < cd&#214;J           > 00 63 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024AD66445B0, 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 0x0000024AD6645590, 16 bytes long.
 Data: <X c&#214;J           > 58 90 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024AD663E350, 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 0x0000024AD6645A90, 16 bytes long.
 Data: <0 c&#214;J           > 30 90 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024AD66452C0, 16 bytes long.
 Data: <  c&#214;J           > 08 90 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024AD66451D0, 16 bytes long.
 Data: <&#224; c&#214;J           > E0 8F 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024AD6645770, 16 bytes long.
 Data: <&#184; c&#214;J           > B8 8F 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024AD6645270, 16 bytes long.
 Data: <  c&#214;J           > 90 8F 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024AD66459A0, 16 bytes long.
 Data: <h c&#214;J           > 68 8F 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024AD663DF30, 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 0x0000024AD66454A0, 16 bytes long.
 Data: <@ c&#214;J           > 40 8F 63 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024AD6638F40, 320 bytes long.
 Data: <&#160;Td&#214;J   0&#223;c&#214;J   > A0 54 64 D6 4A 02 00 00 30 DF 63 D6 4A 02 00 00 
{277} normal block at 0x0000024AD6645A40, 16 bytes long.
 Data: <&#224;bd&#214;J           > E0 62 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024AD6645D60, 16 bytes long.
 Data: <&#184;bd&#214;J           > B8 62 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024AD663D990, 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 0x0000024AD6645220, 16 bytes long.
 Data: < bd&#214;J           > 90 62 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024AD663D930, 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 0x0000024AD6645EA0, 16 bytes long.
 Data: <&#216;ad&#214;J           > D8 61 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024AD6645860, 16 bytes long.
 Data: <&#176;ad&#214;J           > B0 61 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024AD6645F40, 16 bytes long.
 Data: < ad&#214;J           > 88 61 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024AD6645E50, 16 bytes long.
 Data: <`ad&#214;J           > 60 61 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024AD6645720, 16 bytes long.
 Data: <8ad&#214;J           > 38 61 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024AD6645680, 16 bytes long.
 Data: < ad&#214;J           > 10 61 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024AD6645400, 16 bytes long.
 Data: <&#224;Gd&#214;J           > E0 47 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024AD66447E0, 40 bytes long.
 Data: < Td&#214;J   &#208;Kd&#214;J   > 00 54 64 D6 4A 02 00 00 D0 4B 64 D6 4A 02 00 00 
{263} normal block at 0x0000024AD6645C20, 16 bytes long.
 Data: <&#240;`d&#214;J           > F0 60 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024AD6645AE0, 16 bytes long.
 Data: <&#200;`d&#214;J           > C8 60 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024AD663E3B0, 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 0x0000024AD6645130, 16 bytes long.
 Data: <&#160;`d&#214;J           > A0 60 64 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024AD66460A0, 992 bytes long.
 Data: <0Qd&#214;J   &#176;&#227;c&#214;J   > 30 51 64 D6 4A 02 00 00 B0 E3 63 D6 4A 02 00 00 
{95} normal block at 0x0000024AD663E110, 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 0x0000024AD663D5A0, 16 bytes long.
 Data: < &#192;b&#214;J           > 90 C0 62 D6 4A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024AD662C090, 40 bytes long.
 Data: <&#160;&#213;c&#214;J    &#225;c&#214;J   > A0 D5 63 D6 4A 02 00 00 10 E1 63 D6 4A 02 00 00 
{72} normal block at 0x0000024AD663C970, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024AD663D140, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024AD663D230, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024AD663CF60, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024AD663D7D0, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024AD663CC90, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024AD663CEC0, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024AD663CE20, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024AD663CBF0, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024AD663CDD0, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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