Task 38673804

Name test_898-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND2538_0
Workunit 31615867
Created 26 Oct 2026, 3:26:40 UTC
Sent 26 Oct 2026, 3:26:46 UTC
Report deadline 31 Oct 2026, 3:26:46 UTC
Received 26 Oct 2026, 5:43:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 1 min 43 sec
CPU time 1 hours 54 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,538.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.95 MB
Peak swap size 2.20 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:44:58 (3452): wrapper (7.9.26016): starting
04:44:58 (3452): 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
04:45:01 (3452): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:45:01 (3452): 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\1\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\1\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
06:42:16 (3452): C:/Windows/system32/cmd.exe exited; CPU time 6887.078125
06:42:16 (3452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 73795499 bytes.
Dumping objects ->
{3835251} normal block at 0x000001C0B00F14B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001C0B00F1D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001C0B00F1670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001C0B00F1910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001C0B00F1750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001C0B019B710, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001C0AE717210, 145 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) : {3835162} normal block at 0x000001C0AE6B0180, 8 bytes long.
 Data: <  f&#174;&#192;   > 00 00 66 AE C0 01 00 00 
{3834548} normal block at 0x000001C0AE717140, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001C0AE6B0400, 8 bytes long.
 Data: <&#176;o &#176;&#192;   > B0 6F 1F B0 C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001C0AE6B0990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C0AE69AEE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001C0AE6A5DB0, 16 bytes long.
 Data: <&#184; k&#174;&#192;           > B8 1F 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C0AE6A6B70, 16 bytes long.
 Data: <  k&#174;&#192;           > 90 1F 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C0AE6ACC80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001C0AE6A6A30, 16 bytes long.
 Data: <h k&#174;&#192;           > 68 1F 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C0AE6A69E0, 16 bytes long.
 Data: <@ k&#174;&#192;           > 40 1F 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C0AE6A6580, 16 bytes long.
 Data: <  k&#174;&#192;           > 18 1F 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C0AE6A5D10, 16 bytes long.
 Data: <&#240; k&#174;&#192;           > F0 1E 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C0AE6AAC30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001C0AE6A6080, 16 bytes long.
 Data: <x&#189;j&#174;&#192;           > 78 BD 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C0AE6ACD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001C0AE6A64E0, 16 bytes long.
 Data: <P&#189;j&#174;&#192;           > 50 BD 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C0AE6A5FE0, 16 bytes long.
 Data: <(&#189;j&#174;&#192;           > 28 BD 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C0AE6A63A0, 16 bytes long.
 Data: < &#189;j&#174;&#192;           > 00 BD 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C0AE6A5F90, 16 bytes long.
 Data: <&#216;&#188;j&#174;&#192;           > D8 BC 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C0AE6B02C0, 16 bytes long.
 Data: <&#176;&#188;j&#174;&#192;           > B0 BC 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C0AE6B0130, 16 bytes long.
 Data: < &#188;j&#174;&#192;           > 88 BC 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C0AE6ACB60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001C0AE6B0270, 16 bytes long.
 Data: <`&#188;j&#174;&#192;           > 60 BC 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C0AE6ABC60, 320 bytes long.
 Data: <p k&#174;&#192;   `&#203;j&#174;&#192;   > 70 02 6B AE C0 01 00 00 60 CB 6A AE C0 01 00 00 
{268} normal block at 0x000001C0AE6B0310, 16 bytes long.
 Data: <&#208; k&#174;&#192;           > D0 1E 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C0AE6B06D0, 16 bytes long.
 Data: <&#168; k&#174;&#192;           > A8 1E 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C0AE6ACAA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001C0AE6B0770, 16 bytes long.
 Data: <  k&#174;&#192;           > 80 1E 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C0AE6ABF60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001C0AE6B03B0, 16 bytes long.
 Data: <&#200; k&#174;&#192;           > C8 1D 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C0AE6B0360, 16 bytes long.
 Data: <&#160; k&#174;&#192;           > A0 1D 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C0AE6B0630, 16 bytes long.
 Data: <x k&#174;&#192;           > 78 1D 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C0AE6B01D0, 16 bytes long.
 Data: <P k&#174;&#192;           > 50 1D 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C0AE6B04A0, 16 bytes long.
 Data: <( k&#174;&#192;           > 28 1D 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C0AE6B0680, 16 bytes long.
 Data: <  k&#174;&#192;           > 00 1D 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C0AE6B0540, 16 bytes long.
 Data: < &#176;j&#174;&#192;           > 90 B0 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C0AE6AB090, 40 bytes long.
 Data: <@ k&#174;&#192;    &#183; &#176;&#192;   > 40 05 6B AE C0 01 00 00 10 B7 19 B0 C0 01 00 00 
{254} normal block at 0x000001C0AE6B0090, 16 bytes long.
 Data: <&#224; k&#174;&#192;           > E0 1C 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C0AE6B07C0, 16 bytes long.
 Data: <&#184; k&#174;&#192;           > B8 1C 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C0AE6AC8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001C0AE6B04F0, 16 bytes long.
 Data: <  k&#174;&#192;           > 90 1C 6B AE C0 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001C0AE6B1C90, 992 bytes long.
 Data: <&#240; k&#174;&#192;   &#192;&#200;j&#174;&#192;   > F0 04 6B AE C0 01 00 00 C0 C8 6A AE C0 01 00 00 
{86} normal block at 0x000001C0AE6AC620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001C0AE6A6A80, 16 bytes long.
 Data: < &#169;j&#174;&#192;           > 90 A9 6A AE C0 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001C0AE6AA990, 40 bytes long.
 Data: < jj&#174;&#192;    &#198;j&#174;&#192;   > 80 6A 6A AE C0 01 00 00 20 C6 6A AE C0 01 00 00 
{63} normal block at 0x000001C0AE6A6620, 16 bytes long.
 Data: < &#234;&#154;&#165;&#246;           > 80 EA 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C0AE6A5E50, 16 bytes long.
 Data: <@&#233;&#154;&#165;&#246;           > 40 E9 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C0AE6A6440, 16 bytes long.
 Data: <&#248;W&#151;&#165;&#246;           > F8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C0AE6A6850, 16 bytes long.
 Data: <&#216;W&#151;&#165;&#246;           > D8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C0AE6A6710, 16 bytes long.
 Data: <P &#151;&#165;&#246;           > 50 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C0AE6A6530, 16 bytes long.
 Data: <0 &#151;&#165;&#246;           > 30 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C0AE6A6AD0, 16 bytes long.
 Data: <&#224; &#151;&#165;&#246;           > E0 02 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C0AE6A5D60, 16 bytes long.
 Data: <  &#151;&#165;&#246;           > 10 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001C0AE6A5CC0, 16 bytes long.
 Data: <p &#151;&#165;&#246;           > 70 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001C0AE6A66C0, 16 bytes long.
 Data: < &#192;&#149;&#165;&#246;           > 18 C0 95 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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