Task 38679863

Name test_941-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND6837_0
Workunit 31621622
Created 26 Oct 2026, 22:02:44 UTC
Sent 26 Oct 2026, 22:02:50 UTC
Report deadline 31 Oct 2026, 22:02:50 UTC
Received 26 Oct 2026, 23:37:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 37 min 57 sec
CPU time 35 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.57 MB
Peak swap size 8.39 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:59:08 (12700): wrapper (7.9.26016): starting
18:59:08 (12700): 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
18:59:10 (12700): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:10 (12700): 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\16\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\16\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
19:35:27 (12700): C:/Windows/system32/cmd.exe exited; CPU time 2107.046875
19:35:27 (12700): 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: 38875231 bytes.
Dumping objects ->
{3835262} normal block at 0x00000243015836F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000024301583A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000024301583300, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x000002437F5B4AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002437F5B4970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x00000243014F5CC0, 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) : {3835174} normal block at 0x000002437F5AE970, 8 bytes long.
 Data: <  &#164; C   > 00 00 A4 7F 43 02 00 00 
{3833959} normal block at 0x000002437F5AF000, 8 bytes long.
 Data: <0@[ C   > 30 40 5B 7F 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002437F5B0B70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002437F5A6860, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002437F5B57A0, 16 bytes long.
 Data: <&#184;U[ C           > B8 55 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002437F5B6150, 16 bytes long.
 Data: < U[ C           > 90 55 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002437F5AFB60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002437F5B60B0, 16 bytes long.
 Data: <hU[ C           > 68 55 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002437F5B57F0, 16 bytes long.
 Data: <@U[ C           > 40 55 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002437F5B65B0, 16 bytes long.
 Data: < U[ C           > 18 55 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002437F5B5DE0, 16 bytes long.
 Data: <&#240;T[ C           > F0 54 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002437F5B47B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002437F5B62E0, 16 bytes long.
 Data: <&#232;&#181;Y C           > E8 B5 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002437F5AFE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002437F5B6010, 16 bytes long.
 Data: <&#192;&#181;Y C           > C0 B5 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002437F5B5FC0, 16 bytes long.
 Data: < &#181;Y C           > 98 B5 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002437F5B6560, 16 bytes long.
 Data: <p&#181;Y C           > 70 B5 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002437F5B5C00, 16 bytes long.
 Data: <H&#181;Y C           > 48 B5 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002437F5B5B10, 16 bytes long.
 Data: < &#181;Y C           > 20 B5 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002437F5B6060, 16 bytes long.
 Data: <&#248;&#180;Y C           > F8 B4 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002437F5AFA40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002437F5B6510, 16 bytes long.
 Data: <&#208;&#180;Y C           > D0 B4 59 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002437F59B4D0, 320 bytes long.
 Data: < e[ C   @&#250;Z C   > 10 65 5B 7F 43 02 00 00 40 FA 5A 7F 43 02 00 00 
{275} normal block at 0x000002437F5B6240, 16 bytes long.
 Data: <&#208;T[ C           > D0 54 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002437F5B64C0, 16 bytes long.
 Data: <&#168;T[ C           > A8 54 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002437F5B0640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002437F5B5D40, 16 bytes long.
 Data: < T[ C           > 80 54 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002437F5AFE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002437F5B6330, 16 bytes long.
 Data: <&#200;S[ C           > C8 53 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002437F5B5CF0, 16 bytes long.
 Data: <&#160;S[ C           > A0 53 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002437F5B5C50, 16 bytes long.
 Data: <xS[ C           > 78 53 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002437F5B5AC0, 16 bytes long.
 Data: <PS[ C           > 50 53 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002437F5B5840, 16 bytes long.
 Data: <(S[ C           > 28 53 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002437F5AEB50, 16 bytes long.
 Data: < S[ C           > 00 53 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002437F5AEF60, 16 bytes long.
 Data: <@G[ C           > 40 47 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002437F5B4740, 40 bytes long.
 Data: <`&#239;Z C   &#192;\O C   > 60 EF 5A 7F 43 02 00 00 C0 5C 4F 01 43 02 00 00 
{261} normal block at 0x000002437F5AE830, 16 bytes long.
 Data: <&#224;R[ C           > E0 52 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002437F5AEFB0, 16 bytes long.
 Data: <&#184;R[ C           > B8 52 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002437F5AF8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002437F5AEEC0, 16 bytes long.
 Data: < R[ C           > 90 52 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002437F5B5290, 992 bytes long.
 Data: <&#192;&#238;Z C   &#192;&#248;Z C   > C0 EE 5A 7F 43 02 00 00 C0 F8 5A 7F 43 02 00 00 
{93} normal block at 0x000002437F5B0340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002437F5AEC40, 16 bytes long.
 Data: <&#208;F[ C           > D0 46 5B 7F 43 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002437F5B46D0, 40 bytes long.
 Data: <@&#236;Z C   @ [ C   > 40 EC 5A 7F 43 02 00 00 40 03 5B 7F 43 02 00 00 
{70} normal block at 0x000002437F5AF320, 16 bytes long.
 Data: < &#234; I&#246;           > 80 EA 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002437F5AF4B0, 16 bytes long.
 Data: <@&#233; I&#246;           > 40 E9 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002437F5AF190, 16 bytes long.
 Data: <&#248;W|I&#246;           > F8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002437F5AE8D0, 16 bytes long.
 Data: <&#216;W|I&#246;           > D8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002437F5AEB00, 16 bytes long.
 Data: <P |I&#246;           > 50 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002437F5AF410, 16 bytes long.
 Data: <0 |I&#246;           > 30 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002437F5AF2D0, 16 bytes long.
 Data: <&#224; |I&#246;           > E0 02 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002437F5AF280, 16 bytes long.
 Data: <  |I&#246;           > 10 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002437F5AF3C0, 16 bytes long.
 Data: <p |I&#246;           > 70 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002437F5AF230, 16 bytes long.
 Data: < &#192;zI&#246;           > 18 C0 7A 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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