Task 38698203

Name test_722-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0547_1
Workunit 31638300
Created 2 Nov 2026, 5:49:28 UTC
Sent 2 Nov 2026, 5:49:34 UTC
Report deadline 7 Nov 2026, 5:49:34 UTC
Received 2 Nov 2026, 6:32:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 23 min 20 sec
CPU time 21 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.77 MB
Peak swap size 6.98 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:09:49 (18556): wrapper (7.9.26016): starting
07:09:49 (18556): 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
07:09:50 (18556): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:09:50 (18556): 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
07:32:34 (18556): C:/Windows/system32/cmd.exe exited; CPU time 1293.062500
07:32:34 (18556): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 21919887 bytes.
Dumping objects ->
{3835231} normal block at 0x000001F23B04A110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000001F23B04A570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001F23B04A1F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x000001F23B049C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001F23B04A340, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x000001F23CD67E50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x000001F23B07EAE0, 141 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) : {3835142} normal block at 0x000001F23B01D220, 8 bytes long.
 Data: <  L;&#242;   > 00 00 4C 3B F2 01 00 00 
{3834545} normal block at 0x000001F23B07E870, 141 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 0x000001F23B01D950, 8 bytes long.
 Data: <p&#216; ;&#242;   > 70 D8 0F 3B F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F23B027350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F23B00C510, 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 0x000001F23B0249F0, 16 bytes long.
 Data: <&#184;G ;&#242;           > B8 47 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F23B024B30, 16 bytes long.
 Data: < G ;&#242;           > 90 47 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F23B01EC60, 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 0x000001F23B0249A0, 16 bytes long.
 Data: <hG ;&#242;           > 68 47 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F23B025440, 16 bytes long.
 Data: <@G ;&#242;           > 40 47 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F23B024AE0, 16 bytes long.
 Data: < G ;&#242;           > 18 47 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F23B025030, 16 bytes long.
 Data: <&#240;F ;&#242;           > F0 46 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F23B022C80, 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 0x000001F23B024FE0, 16 bytes long.
 Data: <   ;&#242;           > 98 15 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F23B01EE40, 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 0x000001F23B024E50, 16 bytes long.
 Data: <p  ;&#242;           > 70 15 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F23B024E00, 16 bytes long.
 Data: <H  ;&#242;           > 48 15 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F23B025350, 16 bytes long.
 Data: <   ;&#242;           > 20 15 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F23B025760, 16 bytes long.
 Data: <&#248;  ;&#242;           > F8 14 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F23B025710, 16 bytes long.
 Data: <&#208;  ;&#242;           > D0 14 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F23B024A90, 16 bytes long.
 Data: <&#168;  ;&#242;           > A8 14 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F23B01F980, 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 0x000001F23B025850, 16 bytes long.
 Data: <   ;&#242;           > 80 14 01 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F23B011480, 320 bytes long.
 Data: <PX ;&#242;    &#249; ;&#242;   > 50 58 02 3B F2 01 00 00 80 F9 01 3B F2 01 00 00 
{277} normal block at 0x000001F23B024A40, 16 bytes long.
 Data: <&#208;F ;&#242;           > D0 46 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F23B0253F0, 16 bytes long.
 Data: <&#168;F ;&#242;           > A8 46 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F23B01F3E0, 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 0x000001F23B025620, 16 bytes long.
 Data: < F ;&#242;           > 80 46 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F23B01F680, 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 0x000001F23B0252B0, 16 bytes long.
 Data: <&#200;E ;&#242;           > C8 45 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F23B025300, 16 bytes long.
 Data: <&#160;E ;&#242;           > A0 45 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F23B0253A0, 16 bytes long.
 Data: <xE ;&#242;           > 78 45 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F23B024BD0, 16 bytes long.
 Data: <PE ;&#242;           > 50 45 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F23B0255D0, 16 bytes long.
 Data: <(E ;&#242;           > 28 45 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F23B01DB30, 16 bytes long.
 Data: < E ;&#242;           > 00 45 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F23B01D7C0, 16 bytes long.
 Data: < ( ;&#242;           > 20 28 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F23B022820, 40 bytes long.
 Data: <&#192;&#215; ;&#242;   P~&#214;<&#242;   > C0 D7 01 3B F2 01 00 00 50 7E D6 3C F2 01 00 00 
{263} normal block at 0x000001F23B01D770, 16 bytes long.
 Data: <&#224;D ;&#242;           > E0 44 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F23B01D720, 16 bytes long.
 Data: <&#184;D ;&#242;           > B8 44 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F23B01F200, 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 0x000001F23B01D540, 16 bytes long.
 Data: < D ;&#242;           > 90 44 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F23B024490, 992 bytes long.
 Data: <@&#213; ;&#242;    &#242; ;&#242;   > 40 D5 01 3B F2 01 00 00 00 F2 01 3B F2 01 00 00 
{95} normal block at 0x000001F23B01EF60, 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 0x000001F23B01DF90, 16 bytes long.
 Data: <&#240;, ;&#242;           > F0 2C 02 3B F2 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F23B022CF0, 40 bytes long.
 Data: < &#223; ;&#242;   `&#239; ;&#242;   > 90 DF 01 3B F2 01 00 00 60 EF 01 3B F2 01 00 00 
{72} normal block at 0x000001F23B01DEF0, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F23B01DF40, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F23B01D810, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F23B01D1D0, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F23B01DD10, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F23B01D3B0, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F23B01D900, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F23B01D4F0, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F23B01D860, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F23B01DA90, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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