Task 38682467

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6290_0
Workunit 31624081
Created 27 Oct 2026, 7:52:59 UTC
Sent 27 Oct 2026, 7:53:16 UTC
Report deadline 1 Nov 2026, 7:53:16 UTC
Received 27 Oct 2026, 8:39:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602698
Run time 41 min 48 sec
CPU time 39 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,952.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.77 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:58:36 (20400): wrapper (7.9.26016): starting
08:58:36 (20400): 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
08:58:38 (20400): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:58:38 (20400): 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:\BOINC\slots\10\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:\BOINC\slots\10\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
09:38:47 (20400): C:/Windows/system32/cmd.exe exited; CPU time 2379.187500
09:38:47 (20400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
458 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: 35210987 bytes.
Dumping objects ->
{3835229} normal block at 0x0000015B12E20CA0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835218} normal block at 0x0000015B12F635F0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835207} normal block at 0x0000015B12F63170, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835196} normal block at 0x0000015B12F628D0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835185} normal block at 0x0000015B12F63830, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835154} normal block at 0x0000015B12E20C30, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835143} normal block at 0x0000015B12FB4CC0, 141 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) : {3835140} normal block at 0x0000015B112C67B0, 8 bytes long.
 Data: <  &#209; [   > 00 00 D1 12 5B 01 00 00 
{3834534} normal block at 0x0000015B12FB4090, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000015B112C6170, 8 bytes long.
 Data: <&#176;T&#254; [   > B0 54 FE 12 5B 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000015B112D14F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015B112B5BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000015B112D2E90, 16 bytes long.
 Data: <&#232;5- [           > E8 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015B112D23F0, 16 bytes long.
 Data: <&#192;5- [           > C0 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015B112CC980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000015B112D2B70, 16 bytes long.
 Data: < 5- [           > 98 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015B112D3250, 16 bytes long.
 Data: <p5- [           > 70 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015B112D2940, 16 bytes long.
 Data: <H5- [           > 48 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015B112D2800, 16 bytes long.
 Data: < 5- [           > 20 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015B112CA8F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000015B112D27B0, 16 bytes long.
 Data: <H[+ [           > 48 5B 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015B112CCAA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000015B112D2490, 16 bytes long.
 Data: < [+ [           > 20 5B 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015B112D31B0, 16 bytes long.
 Data: <&#248;Z+ [           > F8 5A 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015B112D3160, 16 bytes long.
 Data: <&#208;Z+ [           > D0 5A 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015B112D2DA0, 16 bytes long.
 Data: <&#168;Z+ [           > A8 5A 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015B112D3110, 16 bytes long.
 Data: < Z+ [           > 80 5A 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015B112D2E40, 16 bytes long.
 Data: <XZ+ [           > 58 5A 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015B112CC1A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000015B112D2A30, 16 bytes long.
 Data: <0Z+ [           > 30 5A 2B 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015B112B5A30, 320 bytes long.
 Data: <0*- [   &#160;&#193;, [   > 30 2A 2D 11 5B 01 00 00 A0 C1 2C 11 5B 01 00 00 
{266} normal block at 0x0000015B112D23A0, 16 bytes long.
 Data: < 5- [           > 00 35 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015B112D30C0, 16 bytes long.
 Data: <&#216;4- [           > D8 34 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015B112CBE40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000015B112D2580, 16 bytes long.
 Data: <&#176;4- [           > B0 34 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015B112CC2C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000015B112D2850, 16 bytes long.
 Data: <&#248;3- [           > F8 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015B112D2350, 16 bytes long.
 Data: <&#208;3- [           > D0 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015B112D2CB0, 16 bytes long.
 Data: <&#168;3- [           > A8 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015B112D3070, 16 bytes long.
 Data: < 3- [           > 80 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015B112D2F80, 16 bytes long.
 Data: <X3- [           > 58 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015B112D2B20, 16 bytes long.
 Data: <03- [           > 30 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015B112D2300, 16 bytes long.
 Data: <&#160;&#174;, [           > A0 AE 2C 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015B112CAEA0, 40 bytes long.
 Data: < #- [   0 &#226; [   > 00 23 2D 11 5B 01 00 00 30 0C E2 12 5B 01 00 00 
{252} normal block at 0x0000015B112D2D00, 16 bytes long.
 Data: < 3- [           > 10 33 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000015B112D2760, 16 bytes long.
 Data: <&#232;2- [           > E8 32 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000015B112CC920, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000015B112D2710, 16 bytes long.
 Data: <&#192;2- [           > C0 32 2D 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000015B112D32C0, 992 bytes long.
 Data: < '- [    &#201;, [   > 10 27 2D 11 5B 01 00 00 20 C9 2C 11 5B 01 00 00 
{84} normal block at 0x0000015B112CC0E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000015B112C6120, 16 bytes long.
 Data: <P&#173;, [           > 50 AD 2C 11 5B 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000015B112CAD50, 40 bytes long.
 Data: < a, [   &#224;&#192;, [   > 20 61 2C 11 5B 01 00 00 E0 C0 2C 11 5B 01 00 00 
{61} normal block at 0x0000015B112C63F0, 16 bytes long.
 Data: < &#234;q8&#247;           > 80 EA 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015B112C6030, 16 bytes long.
 Data: <@&#233;q8&#247;           > 40 E9 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015B112C64E0, 16 bytes long.
 Data: <&#248;Wn8&#247;           > F8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015B112C68A0, 16 bytes long.
 Data: <&#216;Wn8&#247;           > D8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015B112C5F90, 16 bytes long.
 Data: <P n8&#247;           > 50 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015B112C6080, 16 bytes long.
 Data: <0 n8&#247;           > 30 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000015B112C5DB0, 16 bytes long.
 Data: <&#224; n8&#247;           > E0 02 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000015B112C5E00, 16 bytes long.
 Data: <  n8&#247;           > 10 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000015B112C66C0, 16 bytes long.
 Data: <p n8&#247;           > 70 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000015B112C6710, 16 bytes long.
 Data: < &#192;l8&#247;           > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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