Task 38683419

Name test_22-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2898_0
Workunit 31624977
Created 27 Oct 2026, 11:46:25 UTC
Sent 27 Oct 2026, 11:46:35 UTC
Report deadline 1 Nov 2026, 11:46:35 UTC
Received 27 Oct 2026, 12:55:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 49 sec
CPU time 27 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.79 MB
Peak swap size 9.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:26:18 (62456): wrapper (7.9.26016): starting
13:26:18 (62456): 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
13:26:28 (62456): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:26:28 (62456): 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 'D:\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 'D:\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: Exiting with failure status due to previous errors
13:54:40 (62456): C:/Windows/system32/cmd.exe exited; CPU time 1663.343750
13:54:40 (62456): 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: 37809789 bytes.
Dumping objects ->
{3835278} normal block at 0x0000016AE6FA74C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000016AE6FA6FF0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000016AE6ED54A0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x0000016AE6ED5580, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000016AE6ED53C0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x0000016AE8D04B00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x0000016AE6ECAA80, 8 bytes long.
 Data: <  7&#231;j   > 00 00 37 E7 6A 01 00 00 
{3833975} normal block at 0x0000016AE6ECB7F0, 8 bytes long.
 Data: < F&#214;&#232;j   > 00 46 D6 E8 6A 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000016AE6ED28F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000016AE6EC6850, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000016AE6ED6060, 16 bytes long.
 Data: <hq&#237;&#230;j           > 68 71 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000016AE6ED66A0, 16 bytes long.
 Data: <@q&#237;&#230;j           > 40 71 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000016AE6ECF220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000016AE6ED6AB0, 16 bytes long.
 Data: < q&#237;&#230;j           > 18 71 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016AE6ED6970, 16 bytes long.
 Data: <&#240;p&#237;&#230;j           > F0 70 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016AE6ED6240, 16 bytes long.
 Data: <&#200;p&#237;&#230;j           > C8 70 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016AE6ED6CE0, 16 bytes long.
 Data: <&#160;p&#237;&#230;j           > A0 70 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016AE6ED5510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000016AE6ED6C90, 16 bytes long.
 Data: < &#249;&#235;&#230;j           > 88 F9 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016AE6ECF1C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000016AE6ED5F70, 16 bytes long.
 Data: <`&#249;&#235;&#230;j           > 60 F9 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016AE6ED6C40, 16 bytes long.
 Data: <8&#249;&#235;&#230;j           > 38 F9 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016AE6ED67E0, 16 bytes long.
 Data: < &#249;&#235;&#230;j           > 10 F9 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016AE6ED6BF0, 16 bytes long.
 Data: <&#232;&#248;&#235;&#230;j           > E8 F8 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016AE6ED61F0, 16 bytes long.
 Data: <&#192;&#248;&#235;&#230;j           > C0 F8 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016AE6ED6B00, 16 bytes long.
 Data: < &#248;&#235;&#230;j           > 98 F8 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016AE6ECECE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000016AE6ED6330, 16 bytes long.
 Data: <p&#248;&#235;&#230;j           > 70 F8 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016AE6EBF870, 320 bytes long.
 Data: <0c&#237;&#230;j   &#224;&#236;&#236;&#230;j   > 30 63 ED E6 6A 01 00 00 E0 EC EC E6 6A 01 00 00 
{283} normal block at 0x0000016AE6ED5ED0, 16 bytes long.
 Data: < p&#237;&#230;j           > 80 70 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016AE6ED6650, 16 bytes long.
 Data: <Xp&#237;&#230;j           > 58 70 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016AE6ECEC20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000016AE6ED6A60, 16 bytes long.
 Data: <0p&#237;&#230;j           > 30 70 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016AE6ECEE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000016AE6ED6560, 16 bytes long.
 Data: <xo&#237;&#230;j           > 78 6F ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016AE6ED6150, 16 bytes long.
 Data: <Po&#237;&#230;j           > 50 6F ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016AE6ED61A0, 16 bytes long.
 Data: <(o&#237;&#230;j           > 28 6F ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016AE6ED6010, 16 bytes long.
 Data: < o&#237;&#230;j           > 00 6F ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016AE6ED6BA0, 16 bytes long.
 Data: <&#216;n&#237;&#230;j           > D8 6E ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016AE6ED6380, 16 bytes long.
 Data: <&#176;n&#237;&#230;j           > B0 6E ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016AE6ED6790, 16 bytes long.
 Data: <PS&#237;&#230;j           > 50 53 ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016AE6ED5350, 40 bytes long.
 Data: < g&#237;&#230;j    K&#208;&#232;j   > 90 67 ED E6 6A 01 00 00 00 4B D0 E8 6A 01 00 00 
{269} normal block at 0x0000016AE6ED5E80, 16 bytes long.
 Data: < n&#237;&#230;j           > 90 6E ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016AE6ED6740, 16 bytes long.
 Data: <hn&#237;&#230;j           > 68 6E ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016AE6ECE920, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000016AE6ED66F0, 16 bytes long.
 Data: <@n&#237;&#230;j           > 40 6E ED E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016AE6ED6E40, 992 bytes long.
 Data: <&#240;f&#237;&#230;j    &#233;&#236;&#230;j   > F0 66 ED E6 6A 01 00 00 20 E9 EC E6 6A 01 00 00 
{101} normal block at 0x0000016AE6ECE8C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000016AE6ECAC60, 16 bytes long.
 Data: <0&#200;&#235;&#230;j           > 30 C8 EB E6 6A 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000016AE6EBC830, 40 bytes long.
 Data: <`&#172;&#236;&#230;j   &#192;&#232;&#236;&#230;j   > 60 AC EC E6 6A 01 00 00 C0 E8 EC E6 6A 01 00 00 
{78} normal block at 0x0000016AE6ECB070, 16 bytes long.
 Data: < &#234;&#233;Z&#247;           > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000016AE6ECAC10, 16 bytes long.
 Data: <@&#233;&#233;Z&#247;           > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000016AE6ECB3E0, 16 bytes long.
 Data: <&#248;W&#230;Z&#247;           > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000016AE6ECADF0, 16 bytes long.
 Data: <&#216;W&#230;Z&#247;           > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000016AE6ECAF80, 16 bytes long.
 Data: <P &#230;Z&#247;           > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000016AE6ECAB70, 16 bytes long.
 Data: <0 &#230;Z&#247;           > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016AE6ECABC0, 16 bytes long.
 Data: <&#224; &#230;Z&#247;           > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016AE6ECAA30, 16 bytes long.
 Data: <  &#230;Z&#247;           > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016AE6ECB610, 16 bytes long.
 Data: <p &#230;Z&#247;           > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016AE6ECADA0, 16 bytes long.
 Data: < &#192;&#228;Z&#247;           > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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