Task 38673806

Name test_264-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0312_0
Workunit 31615869
Created 26 Oct 2026, 3:27:52 UTC
Sent 26 Oct 2026, 3:27:55 UTC
Report deadline 31 Oct 2026, 3:27:55 UTC
Received 26 Oct 2026, 4:03:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 34 min 36 sec
CPU time 32 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.61 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:29:04 (90012): wrapper (7.9.26016): starting
04:29:04 (90012): 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
04:29:05 (90012): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:29:05 (90012): 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
05:02:41 (90012): C:/Windows/system32/cmd.exe exited; CPU time 1930.859375
05:02:41 (90012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 51121271 bytes.
Dumping objects ->
{3835230} normal block at 0x000002146F5007E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000002146F500A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002146F5009A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x000002146F500CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002146F500E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000002146D88DC60, 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) : {3835142} normal block at 0x000002146D861BC0, 8 bytes long.
 Data: <  }m    > 00 00 7D 6D 14 02 00 00 
{3833989} normal block at 0x000002146D861120, 8 bytes long.
 Data: <&#208;z]o    > D0 7A 5D 6F 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000002146D85A020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000002146D8509D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000002146D869320, 16 bytes long.
 Data: < &#163;&#134;m            > 88 A3 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002146D8698C0, 16 bytes long.
 Data: <`&#163;&#134;m            > 60 A3 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002146D861F70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000002146D869730, 16 bytes long.
 Data: <8&#163;&#134;m            > 38 A3 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002146D8696E0, 16 bytes long.
 Data: < &#163;&#134;m            > 10 A3 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002146D869F00, 16 bytes long.
 Data: <&#232;&#162;&#134;m            > E8 A2 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002146D869870, 16 bytes long.
 Data: <&#192;&#162;&#134;m            > C0 A2 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002146D867930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000002146D8692D0, 16 bytes long.
 Data: <H&#205;&#133;m            > 48 CD 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002146D862570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000002146D869820, 16 bytes long.
 Data: < &#205;&#133;m            > 20 CD 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002146D869EB0, 16 bytes long.
 Data: <&#248;&#204;&#133;m            > F8 CC 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002146D869D70, 16 bytes long.
 Data: <&#208;&#204;&#133;m            > D0 CC 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002146D8691E0, 16 bytes long.
 Data: <&#168;&#204;&#133;m            > A8 CC 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002146D869A00, 16 bytes long.
 Data: < &#204;&#133;m            > 80 CC 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002146D8697D0, 16 bytes long.
 Data: <X&#204;&#133;m            > 58 CC 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002146D8620F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000002146D869CD0, 16 bytes long.
 Data: <0&#204;&#133;m            > 30 CC 85 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002146D85CC30, 320 bytes long.
 Data: <&#208;&#156;&#134;m    &#240; &#134;m    > D0 9C 86 6D 14 02 00 00 F0 20 86 6D 14 02 00 00 
{290} normal block at 0x000002146D869140, 16 bytes long.
 Data: <&#160;&#162;&#134;m            > A0 A2 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002146D869640, 16 bytes long.
 Data: <x&#162;&#134;m            > 78 A2 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002146D8626F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000002146D869190, 16 bytes long.
 Data: <P&#162;&#134;m            > 50 A2 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002146D8624B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000002146D869C80, 16 bytes long.
 Data: < &#161;&#134;m            > 98 A1 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002146D869690, 16 bytes long.
 Data: <p&#161;&#134;m            > 70 A1 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002146D869500, 16 bytes long.
 Data: <H&#161;&#134;m            > 48 A1 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002146D8695F0, 16 bytes long.
 Data: < &#161;&#134;m            > 20 A1 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002146D8695A0, 16 bytes long.
 Data: <&#248;&#160;&#134;m            > F8 A0 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002146D869550, 16 bytes long.
 Data: <&#208;&#160;&#134;m            > D0 A0 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002146D869280, 16 bytes long.
 Data: <@|&#134;m            > 40 7C 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002146D867C40, 40 bytes long.
 Data: < &#146;&#134;m    `&#220; m    > 80 92 86 6D 14 02 00 00 60 DC 88 6D 14 02 00 00 
{276} normal block at 0x000002146D869DC0, 16 bytes long.
 Data: <&#176;&#160;&#134;m            > B0 A0 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002146D8693C0, 16 bytes long.
 Data: < &#160;&#134;m            > 88 A0 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002146D862DB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000002146D8690F0, 16 bytes long.
 Data: <`&#160;&#134;m            > 60 A0 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002146D86A060, 992 bytes long.
 Data: <&#240; &#134;m    &#176;-&#134;m    > F0 90 86 6D 14 02 00 00 B0 2D 86 6D 14 02 00 00 
{108} normal block at 0x000002146D861EB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000002146D8610D0, 16 bytes long.
 Data: <`{&#134;m            > 60 7B 86 6D 14 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000002146D867B60, 40 bytes long.
 Data: <&#208; &#134;m    &#176; &#134;m    > D0 10 86 6D 14 02 00 00 B0 1E 86 6D 14 02 00 00 
{85} normal block at 0x000002146D861350, 16 bytes long.
 Data: < &#234; q&#246;           > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002146D860F90, 16 bytes long.
 Data: <@&#233; q&#246;           > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002146D861260, 16 bytes long.
 Data: <&#248;W q&#246;           > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002146D861620, 16 bytes long.
 Data: <&#216;W q&#246;           > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002146D860F40, 16 bytes long.
 Data: <P  q&#246;           > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002146D861DF0, 16 bytes long.
 Data: <0  q&#246;           > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002146D8615D0, 16 bytes long.
 Data: <&#224;  q&#246;           > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002146D861AD0, 16 bytes long.
 Data: <   q&#246;           > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002146D861C10, 16 bytes long.
 Data: <p  q&#246;           > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002146D861530, 16 bytes long.
 Data: < &#192; q&#246;           > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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