Task 38689624

Name test_367-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND8463_0
Workunit 31630861
Created 28 Oct 2026, 22:21:36 UTC
Sent 28 Oct 2026, 22:21:42 UTC
Report deadline 2 Nov 2026, 22:21:42 UTC
Received 28 Oct 2026, 23:14:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 32 min 49 sec
CPU time 23 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.25 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:41:37 (15900): wrapper (7.9.26016): starting
15:41:37 (15900): 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
15:41:40 (15900): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:41:40 (15900): 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\32\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\32\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
16:13:29 (15900): C:/Windows/system32/cmd.exe exited; CPU time 1426.781250
16:13:29 (15900): 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: 21363603 bytes.
Dumping objects ->
{3835241} normal block at 0x00000197396A49F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x00000197396A4FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000197396A4F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x00000197396A4EC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000197396A4D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x000001973B394800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000001973B2C08F0, 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) : {3835151} normal block at 0x000001973969F470, 8 bytes long.
 Data: <  &#186;9&#151;   > 00 00 BA 39 97 01 00 00 
{3834548} normal block at 0x000001973B2C0B90, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001973969F0B0, 8 bytes long.
 Data: <&#176;&#227;*;&#151;   > B0 E3 2A 3B 97 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000197396A0B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000197396963A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000197396A5B30, 16 bytes long.
 Data: <&#184;ij9&#151;           > B8 69 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000197396A64E0, 16 bytes long.
 Data: < ij9&#151;           > 90 69 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000197396A0340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000197396A6490, 16 bytes long.
 Data: <hij9&#151;           > 68 69 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000197396A5C20, 16 bytes long.
 Data: <@ij9&#151;           > 40 69 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000197396A5D10, 16 bytes long.
 Data: < ij9&#151;           > 18 69 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000197396A6300, 16 bytes long.
 Data: <&#240;hj9&#151;           > F0 68 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000197396A4980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000197396A5900, 16 bytes long.
 Data: <&#248;&#181;h9&#151;           > F8 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001973969FBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000197396A60D0, 16 bytes long.
 Data: <&#208;&#181;h9&#151;           > D0 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000197396A56D0, 16 bytes long.
 Data: <&#168;&#181;h9&#151;           > A8 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000197396A63A0, 16 bytes long.
 Data: < &#181;h9&#151;           > 80 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000197396A5DB0, 16 bytes long.
 Data: <X&#181;h9&#151;           > 58 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000197396A59F0, 16 bytes long.
 Data: <0&#181;h9&#151;           > 30 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000197396A5770, 16 bytes long.
 Data: < &#181;h9&#151;           > 08 B5 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001973969FB60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000197396A6350, 16 bytes long.
 Data: <&#224;&#180;h9&#151;           > E0 B4 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001973968B4E0, 320 bytes long.
 Data: <Pcj9&#151;   `&#251;i9&#151;   > 50 63 6A 39 97 01 00 00 60 FB 69 39 97 01 00 00 
{274} normal block at 0x00000197396A5AE0, 16 bytes long.
 Data: <&#208;hj9&#151;           > D0 68 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000197396A5720, 16 bytes long.
 Data: <&#168;hj9&#151;           > A8 68 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000197396A0280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000197396A5810, 16 bytes long.
 Data: < hj9&#151;           > 80 68 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000197396A0160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000197396A6210, 16 bytes long.
 Data: <&#200;gj9&#151;           > C8 67 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000197396A62B0, 16 bytes long.
 Data: <&#160;gj9&#151;           > A0 67 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000197396A63F0, 16 bytes long.
 Data: <xgj9&#151;           > 78 67 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000197396A6260, 16 bytes long.
 Data: <Pgj9&#151;           > 50 67 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000197396A61C0, 16 bytes long.
 Data: <(gj9&#151;           > 28 67 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000197396A6080, 16 bytes long.
 Data: < gj9&#151;           > 00 67 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000197396A6620, 16 bytes long.
 Data: <&#208;Jj9&#151;           > D0 4A 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000197396A4AD0, 40 bytes long.
 Data: < fj9&#151;    H9;&#151;   > 20 66 6A 39 97 01 00 00 00 48 39 3B 97 01 00 00 
{260} normal block at 0x00000197396A57C0, 16 bytes long.
 Data: <&#224;fj9&#151;           > E0 66 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000197396A5BD0, 16 bytes long.
 Data: <&#184;fj9&#151;           > B8 66 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001973969FA40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000197396A6030, 16 bytes long.
 Data: < fj9&#151;           > 90 66 6A 39 97 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000197396A6690, 992 bytes long.
 Data: <0`j9&#151;   @&#250;i9&#151;   > 30 60 6A 39 97 01 00 00 40 FA 69 39 97 01 00 00 
{92} normal block at 0x00000197396A0760, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001973969EC50, 16 bytes long.
 Data: <&#192;&#199;h9&#151;           > C0 C7 68 39 97 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001973968C7C0, 40 bytes long.
 Data: <P&#236;i9&#151;   ` j9&#151;   > 50 EC 69 39 97 01 00 00 60 07 6A 39 97 01 00 00 
{69} normal block at 0x000001973969F3D0, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001973969EDE0, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001973969F600, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001973969F920, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001973969F240, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001973969ED40, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001973969F880, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001973969F330, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001973969F380, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001973969F2E0, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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