Task 38661478

Name test_822-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0093_0
Workunit 31604893
Created 24 Oct 2026, 15:49:32 UTC
Sent 24 Oct 2026, 17:49:17 UTC
Report deadline 29 Oct 2026, 17:49:17 UTC
Received 24 Oct 2026, 21:12:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613630
Run time 29 min 38 sec
CPU time 25 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 106,061.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.50 MB
Peak swap size 7.22 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:03:01 (16564): wrapper (7.9.26016): starting
11:03:01 (16564): 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
11:03:03 (16564): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:03:03 (16564): 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\4\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\4\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
11:31:55 (16564): C:/Windows/system32/cmd.exe exited; CPU time 1513.125000
11:31:55 (16564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 23281743 bytes.
Dumping objects ->
{3835577} normal block at 0x0000018791A52D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835566} normal block at 0x000001878FD64680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835555} normal block at 0x000001878FD64610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835544} normal block at 0x000001878FD64920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001878FD644C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835502} normal block at 0x000001879197C710, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x00000187918F08F0, 155 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) : {3835488} normal block at 0x000001878FD5C9D0, 8 bytes long.
 Data: <  &#210; &#135;   > 00 00 D2 8F 87 01 00 00 
{3834707} normal block at 0x00000187918F0E30, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001878FD5D4C0, 8 bytes long.
 Data: <&#192; &#165;&#145;&#135;   > C0 1F A5 91 87 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001878FD60A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001878FD55CE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001878FD65060, 16 bytes long.
 Data: <(`&#214; &#135;           > 28 60 D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001878FD65BA0, 16 bytes long.
 Data: < `&#214; &#135;           > 00 60 D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001878FD5E570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001878FD65470, 16 bytes long.
 Data: <&#216;_&#214; &#135;           > D8 5F D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001878FD65B50, 16 bytes long.
 Data: <&#176;_&#214; &#135;           > B0 5F D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001878FD65420, 16 bytes long.
 Data: < _&#214; &#135;           > 88 5F D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001878FD65B00, 16 bytes long.
 Data: <`_&#214; &#135;           > 60 5F D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001878FD64530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001878FD650B0, 16 bytes long.
 Data: <&#168;&#241;&#212; &#135;           > A8 F1 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001878FD5E390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001878FD65740, 16 bytes long.
 Data: < &#241;&#212; &#135;           > 80 F1 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001878FD656F0, 16 bytes long.
 Data: <X&#241;&#212; &#135;           > 58 F1 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001878FD659C0, 16 bytes long.
 Data: <0&#241;&#212; &#135;           > 30 F1 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001878FD65380, 16 bytes long.
 Data: < &#241;&#212; &#135;           > 08 F1 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001878FD658D0, 16 bytes long.
 Data: <&#224;&#240;&#212; &#135;           > E0 F0 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001878FD64DE0, 16 bytes long.
 Data: <&#184;&#240;&#212; &#135;           > B8 F0 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001878FD5E870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001878FD65AB0, 16 bytes long.
 Data: < &#240;&#212; &#135;           > 90 F0 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001878FD4F090, 320 bytes long.
 Data: <&#176;Z&#214; &#135;   p&#232;&#213; &#135;   > B0 5A D6 8F 87 01 00 00 70 E8 D5 8F 87 01 00 00 
{280} normal block at 0x000001878FD64FC0, 16 bytes long.
 Data: <@_&#214; &#135;           > 40 5F D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001878FD64D90, 16 bytes long.
 Data: < _&#214; &#135;           > 18 5F D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001878FD5E810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001878FD657E0, 16 bytes long.
 Data: <&#240;^&#214; &#135;           > F0 5E D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001878FD5F230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001878FD656A0, 16 bytes long.
 Data: <8^&#214; &#135;           > 38 5E D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001878FD653D0, 16 bytes long.
 Data: < ^&#214; &#135;           > 10 5E D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001878FD655B0, 16 bytes long.
 Data: <&#232;]&#214; &#135;           > E8 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001878FD64F70, 16 bytes long.
 Data: <&#192;]&#214; &#135;           > C0 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001878FD65510, 16 bytes long.
 Data: < ]&#214; &#135;           > 98 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001878FD65100, 16 bytes long.
 Data: <p]&#214; &#135;           > 70 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001878FD65A60, 16 bytes long.
 Data: < I&#214; &#135;           > 90 49 D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001878FD64990, 40 bytes long.
 Data: <`Z&#214; &#135;    &#199;&#151;&#145;&#135;   > 60 5A D6 8F 87 01 00 00 10 C7 97 91 87 01 00 00 
{266} normal block at 0x000001878FD651F0, 16 bytes long.
 Data: <P]&#214; &#135;           > 50 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001878FD64D40, 16 bytes long.
 Data: <(]&#214; &#135;           > 28 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001878FD5E630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001878FD652E0, 16 bytes long.
 Data: < ]&#214; &#135;           > 00 5D D6 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001878FD65D00, 992 bytes long.
 Data: <&#224;R&#214; &#135;   0&#230;&#213; &#135;   > E0 52 D6 8F 87 01 00 00 30 E6 D5 8F 87 01 00 00 
{98} normal block at 0x000001878FD5E6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001878FD5CAC0, 16 bytes long.
 Data: < &#214;&#212; &#135;           > 90 D6 D4 8F 87 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001878FD4D690, 40 bytes long.
 Data: <&#192;&#202;&#213; &#135;   &#240;&#230;&#213; &#135;   > C0 CA D5 8F 87 01 00 00 F0 E6 D5 8F 87 01 00 00 
{75} normal block at 0x000001878FD5D380, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001878FD5D740, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001878FD5D290, 16 bytes long.
 Data: <&#248;W~ &#246;           > F8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001878FD5CED0, 16 bytes long.
 Data: <&#216;W~ &#246;           > D8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001878FD5D470, 16 bytes long.
 Data: <P ~ &#246;           > 50 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001878FD5D010, 16 bytes long.
 Data: <0 ~ &#246;           > 30 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001878FD5CD40, 16 bytes long.
 Data: <&#224; ~ &#246;           > E0 02 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001878FD5CCA0, 16 bytes long.
 Data: <  ~ &#246;           > 10 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001878FD5D2E0, 16 bytes long.
 Data: <p ~ &#246;           > 70 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001878FD5D790, 16 bytes long.
 Data: < &#192;| &#246;           > 18 C0 7C 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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