Task 38666789

Name test_334-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7879_0
Workunit 31609562
Created 25 Oct 2026, 4:47:28 UTC
Sent 25 Oct 2026, 5:03:30 UTC
Report deadline 30 Oct 2026, 5:03:30 UTC
Received 25 Oct 2026, 8:08:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 47 min 3 sec
CPU time 43 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 819.75 MB
Peak swap size 9.25 GB
Peak disk usage 3.43 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:23:13 (51916): wrapper (7.9.26016): starting
00:23:13 (51916): 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
00:23:15 (51916): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:23:15 (51916): 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
01:08:20 (51916): C:/Windows/system32/cmd.exe exited; CPU time 2585.375000
01:08:20 (51916): 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: 90263605 bytes.
Dumping objects ->
{3835516} normal block at 0x000001FC1CC1A050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x000001FC1CC19480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x000001FC1CC19F00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x000001FC1AF96110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x000001FC1AF96030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x000001FC1CC29210, 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) : {3835428} normal block at 0x000001FC1AF8ED80, 8 bytes long.
 Data: <  O &#252;   > 00 00 4F 1B FC 01 00 00 
{3833971} normal block at 0x000001FC1AF8E060, 8 bytes long.
 Data: < &#234;&#178; &#252;   > 80 EA B2 1C FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FC1AF8F9C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FC1AF87100, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001FC1AF96990, 16 bytes long.
 Data: < y&#249; &#252;           > 08 79 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FC1AF968A0, 16 bytes long.
 Data: <&#224;x&#249; &#252;           > E0 78 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FC1AF909F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001FC1AF96670, 16 bytes long.
 Data: <&#184;x&#249; &#252;           > B8 78 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FC1AF971B0, 16 bytes long.
 Data: < x&#249; &#252;           > 90 78 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FC1AF97110, 16 bytes long.
 Data: <hx&#249; &#252;           > 68 78 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FC1AF96BC0, 16 bytes long.
 Data: <@x&#249; &#252;           > 40 78 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FC1AF95A80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001FC1AF97570, 16 bytes long.
 Data: <(&#254;&#247; &#252;           > 28 FE F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FC1AF90750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001FC1AF96850, 16 bytes long.
 Data: < &#254;&#247; &#252;           > 00 FE F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FC1AF97520, 16 bytes long.
 Data: <&#216;&#253;&#247; &#252;           > D8 FD F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FC1AF968F0, 16 bytes long.
 Data: <&#176;&#253;&#247; &#252;           > B0 FD F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FC1AF96B70, 16 bytes long.
 Data: < &#253;&#247; &#252;           > 88 FD F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FC1AF97160, 16 bytes long.
 Data: <`&#253;&#247; &#252;           > 60 FD F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FC1AF96800, 16 bytes long.
 Data: <8&#253;&#247; &#252;           > 38 FD F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FC1AF90E10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001FC1AF96940, 16 bytes long.
 Data: < &#253;&#247; &#252;           > 10 FD F7 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FC1AF7FD10, 320 bytes long.
 Data: <@i&#249; &#252;     &#249; &#252;   > 40 69 F9 1A FC 01 00 00 10 0E F9 1A FC 01 00 00 
{281} normal block at 0x000001FC1AF97430, 16 bytes long.
 Data: < x&#249; &#252;           > 20 78 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FC1AF973E0, 16 bytes long.
 Data: <&#248;w&#249; &#252;           > F8 77 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FC1AF90A50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001FC1AF97480, 16 bytes long.
 Data: <&#208;w&#249; &#252;           > D0 77 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FC1AF91230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001FC1AF96C10, 16 bytes long.
 Data: < w&#249; &#252;           > 18 77 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FC1AF96F30, 16 bytes long.
 Data: <&#240;v&#249; &#252;           > F0 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FC1AF96760, 16 bytes long.
 Data: <&#200;v&#249; &#252;           > C8 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FC1AF96E90, 16 bytes long.
 Data: <&#160;v&#249; &#252;           > A0 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FC1AF97020, 16 bytes long.
 Data: <xv&#249; &#252;           > 78 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FC1AF97390, 16 bytes long.
 Data: <Pv&#249; &#252;           > 50 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FC1AF96E40, 16 bytes long.
 Data: <`[&#249; &#252;           > 60 5B F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FC1AF95B60, 40 bytes long.
 Data: <@n&#249; &#252;    &#146;&#194; &#252;   > 40 6E F9 1A FC 01 00 00 10 92 C2 1C FC 01 00 00 
{267} normal block at 0x000001FC1AF97340, 16 bytes long.
 Data: <0v&#249; &#252;           > 30 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FC1AF96DF0, 16 bytes long.
 Data: < v&#249; &#252;           > 08 76 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FC1AF90FF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001FC1AF96FD0, 16 bytes long.
 Data: <&#224;u&#249; &#252;           > E0 75 F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FC1AF975E0, 992 bytes long.
 Data: <&#208;o&#249; &#252;   &#240; &#249; &#252;   > D0 6F F9 1A FC 01 00 00 F0 0F F9 1A FC 01 00 00 
{99} normal block at 0x000001FC1AF91410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001FC1AF8E470, 16 bytes long.
 Data: <&#240;Z&#249; &#252;           > F0 5A F9 1A FC 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001FC1AF95AF0, 40 bytes long.
 Data: <p&#228;&#248; &#252;     &#249; &#252;   > 70 E4 F8 1A FC 01 00 00 10 14 F9 1A FC 01 00 00 
{76} normal block at 0x000001FC1AF8E3D0, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001FC1AF8E560, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001FC1AF8EF10, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FC1AF8ECE0, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FC1AF8EEC0, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FC1AF8E150, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FC1AF8E380, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FC1AF8E100, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FC1AF8E1F0, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FC1AF8E420, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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