Task 38685438

Name test_636-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3366_0
Workunit 31626904
Created 27 Oct 2026, 21:02:08 UTC
Sent 27 Oct 2026, 21:02:17 UTC
Report deadline 1 Nov 2026, 21:02:17 UTC
Received 27 Oct 2026, 21:24:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 34 sec
CPU time 20 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.55 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:03:32 (71208): wrapper (7.9.26016): starting
16:03:32 (71208): 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
16:03:34 (71208): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:03:34 (71208): 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\32\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\32\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
16:24:01 (71208): C:/Windows/system32/cmd.exe exited; CPU time 1202.281250
16:24:01 (71208): 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: 35604055 bytes.
Dumping objects ->
{3835311} normal block at 0x00000202882CADA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x00000202882CA6A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000202882CACC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x00000202882CAC50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x00000202882CABE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002028826DC80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000202882CF380, 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) : {3835222} normal block at 0x000002028659F270, 8 bytes long.
 Data: <   &#134;    > 00 00 99 86 02 02 00 00 
{3834575} normal block at 0x00000202882CF4E0, 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 0x000002028659E6E0, 8 bytes long.
 Data: <&#160;I1     > A0 49 31 88 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000202865968A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000202865972E0, 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 0x00000202865A5F60, 16 bytes long.
 Data: <&#168;ZZ&#134;            > A8 5A 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000202865A67D0, 16 bytes long.
 Data: < ZZ&#134;            > 80 5A 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000202865A0B50, 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 0x00000202865A6B40, 16 bytes long.
 Data: <XZZ&#134;            > 58 5A 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000202865A5D30, 16 bytes long.
 Data: <0ZZ&#134;            > 30 5A 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000202865A60F0, 16 bytes long.
 Data: < ZZ&#134;            > 08 5A 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000202865A6410, 16 bytes long.
 Data: <&#224;YZ&#134;            > E0 59 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000202865A3BF0, 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 0x00000202865A5C90, 16 bytes long.
 Data: <&#232;&#251;X&#134;            > E8 FB 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000202865A0430, 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 0x00000202865A6190, 16 bytes long.
 Data: <&#192;&#251;X&#134;            > C0 FB 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000202865A68C0, 16 bytes long.
 Data: < &#251;X&#134;            > 98 FB 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000202865A6870, 16 bytes long.
 Data: <p&#251;X&#134;            > 70 FB 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000202865A6640, 16 bytes long.
 Data: <H&#251;X&#134;            > 48 FB 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000202865A6690, 16 bytes long.
 Data: < &#251;X&#134;            > 20 FB 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000202865A63C0, 16 bytes long.
 Data: <&#248;&#250;X&#134;            > F8 FA 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000202865A0250, 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 0x00000202865A6050, 16 bytes long.
 Data: <&#208;&#250;X&#134;            > D0 FA 58 86 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002028658FAD0, 320 bytes long.
 Data: <P`Z&#134;    P Z&#134;    > 50 60 5A 86 02 02 00 00 50 02 5A 86 02 02 00 00 
{276} normal block at 0x00000202865A64B0, 16 bytes long.
 Data: <&#192;YZ&#134;            > C0 59 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000202865A5C40, 16 bytes long.
 Data: < YZ&#134;            > 98 59 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000202865A0AF0, 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 0x00000202865A6AF0, 16 bytes long.
 Data: <pYZ&#134;            > 70 59 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000202865A04F0, 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 0x00000202865A6780, 16 bytes long.
 Data: <&#184;XZ&#134;            > B8 58 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000202865A5DD0, 16 bytes long.
 Data: < XZ&#134;            > 90 58 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000202865A5E70, 16 bytes long.
 Data: <hXZ&#134;            > 68 58 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000202865A6000, 16 bytes long.
 Data: <@XZ&#134;            > 40 58 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000202865A60A0, 16 bytes long.
 Data: < XZ&#134;            > 18 58 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002028659EDC0, 16 bytes long.
 Data: <&#240;WZ&#134;            > F0 57 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002028659EA50, 16 bytes long.
 Data: < ;Z&#134;            > 10 3B 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000202865A3B10, 40 bytes long.
 Data: <P&#234;Y&#134;     &#220;&     > 50 EA 59 86 02 02 00 00 80 DC 26 88 02 02 00 00 
{262} normal block at 0x000002028659E780, 16 bytes long.
 Data: <&#208;WZ&#134;            > D0 57 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002028659E820, 16 bytes long.
 Data: <&#168;WZ&#134;            > A8 57 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000202865A0A90, 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 0x000002028659E5A0, 16 bytes long.
 Data: < WZ&#134;            > 80 57 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000202865A5780, 992 bytes long.
 Data: <&#160;&#229;Y&#134;      Z&#134;    > A0 E5 59 86 02 02 00 00 90 0A 5A 86 02 02 00 00 
{94} normal block at 0x00000202865A0130, 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 0x000002028659EF00, 16 bytes long.
 Data: <&#224;?Z&#134;            > E0 3F 5A 86 02 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000202865A3FE0, 40 bytes long.
 Data: < &#239;Y&#134;    0 Z&#134;    > 00 EF 59 86 02 02 00 00 30 01 5A 86 02 02 00 00 
{71} normal block at 0x000002028659F360, 16 bytes long.
 Data: < &#234;2B&#247;           > 80 EA 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002028659EC30, 16 bytes long.
 Data: <@&#233;2B&#247;           > 40 E9 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002028659E5F0, 16 bytes long.
 Data: <&#248;W/B&#247;           > F8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002028659EEB0, 16 bytes long.
 Data: <&#216;W/B&#247;           > D8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002028659EE10, 16 bytes long.
 Data: <P /B&#247;           > 50 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002028659F400, 16 bytes long.
 Data: <0 /B&#247;           > 30 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002028659E640, 16 bytes long.
 Data: <&#224; /B&#247;           > E0 02 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002028659E500, 16 bytes long.
 Data: <  /B&#247;           > 10 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002028659EFA0, 16 bytes long.
 Data: <p /B&#247;           > 70 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002028659F220, 16 bytes long.
 Data: < &#192;-B&#247;           > 18 C0 2D 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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