Task 38687651

Name test_237-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0196_0
Workunit 31629034
Created 28 Oct 2026, 8:59:07 UTC
Sent 28 Oct 2026, 8:59:12 UTC
Report deadline 2 Nov 2026, 8:59:12 UTC
Received 28 Oct 2026, 11:30:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652253
Run time 1 hours 2 min
CPU time 59 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,168.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.43 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:29:06 (9684): wrapper (7.9.26016): starting
11:29:06 (9684): 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
11:29:08 (9684): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:29:08 (9684): 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\9\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\9\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
12:29:05 (9684): C:/Windows/system32/cmd.exe exited; CPU time 3556.875000
12:29:05 (9684): 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: 72130867 bytes.
Dumping objects ->
{3835893} normal block at 0x00000123A4596360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835882} normal block at 0x00000123A45962F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835871} normal block at 0x00000123A4596280, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835860} normal block at 0x00000123A4595CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x00000123A4596210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835818} normal block at 0x00000123A6273A30, 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) : {3835805} normal block at 0x00000123A458E600, 8 bytes long.
 Data: <   &#166;#   > 00 00 07 A6 23 01 00 00 
{3833957} normal block at 0x00000123A458E790, 8 bytes long.
 Data: <p&#162;(&#166;#   > 70 A2 28 A6 23 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000123A4590F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000123A4586280, 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 0x00000123A45949F0, 16 bytes long.
 Data: < [Y&#164;#           > 88 5B 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000123A4595300, 16 bytes long.
 Data: <`[Y&#164;#           > 60 5B 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000123A458FE10, 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 0x00000123A4594CC0, 16 bytes long.
 Data: <8[Y&#164;#           > 38 5B 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000123A4594630, 16 bytes long.
 Data: < [Y&#164;#           > 10 5B 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000123A4594F90, 16 bytes long.
 Data: <&#232;ZY&#164;#           > E8 5A 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000123A45952B0, 16 bytes long.
 Data: <&#192;ZY&#164;#           > C0 5A 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000123A4595FE0, 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 0x00000123A4594B80, 16 bytes long.
 Data: <&#216;&#232;W&#164;#           > D8 E8 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000123A458FF30, 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 0x00000123A45953A0, 16 bytes long.
 Data: <&#176;&#232;W&#164;#           > B0 E8 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000123A4594F40, 16 bytes long.
 Data: < &#232;W&#164;#           > 88 E8 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000123A4594C70, 16 bytes long.
 Data: <`&#232;W&#164;#           > 60 E8 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000123A4594770, 16 bytes long.
 Data: <8&#232;W&#164;#           > 38 E8 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000123A4595260, 16 bytes long.
 Data: < &#232;W&#164;#           > 10 E8 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000123A4595080, 16 bytes long.
 Data: <&#232;&#231;W&#164;#           > E8 E7 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000123A458F870, 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 0x00000123A4594D10, 16 bytes long.
 Data: <&#192;&#231;W&#164;#           > C0 E7 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000123A457E7C0, 320 bytes long.
 Data: < MY&#164;#   p&#248;X&#164;#   > 10 4D 59 A4 23 01 00 00 70 F8 58 A4 23 01 00 00 
{274} normal block at 0x00000123A45945E0, 16 bytes long.
 Data: <&#160;ZY&#164;#           > A0 5A 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000123A4595350, 16 bytes long.
 Data: <xZY&#164;#           > 78 5A 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000123A458F570, 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 0x00000123A4594590, 16 bytes long.
 Data: <PZY&#164;#           > 50 5A 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000123A458FB70, 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 0x00000123A4594AE0, 16 bytes long.
 Data: < YY&#164;#           > 98 59 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000123A45944F0, 16 bytes long.
 Data: <pYY&#164;#           > 70 59 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000123A45944A0, 16 bytes long.
 Data: <HYY&#164;#           > 48 59 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000123A45949A0, 16 bytes long.
 Data: < YY&#164;#           > 20 59 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000123A4594860, 16 bytes long.
 Data: <&#248;XY&#164;#           > F8 58 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000123A45951C0, 16 bytes long.
 Data: <&#208;XY&#164;#           > D0 58 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000123A4595030, 16 bytes long.
 Data: <&#224;&#236;W&#164;#           > E0 EC 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000123A457ECE0, 40 bytes long.
 Data: <0PY&#164;#   0:'&#166;#   > 30 50 59 A4 23 01 00 00 30 3A 27 A6 23 01 00 00 
{260} normal block at 0x00000123A4594FE0, 16 bytes long.
 Data: <&#176;XY&#164;#           > B0 58 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000123A4595170, 16 bytes long.
 Data: < XY&#164;#           > 88 58 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000123A458F690, 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 0x00000123A4595120, 16 bytes long.
 Data: <`XY&#164;#           > 60 58 59 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000123A4595860, 992 bytes long.
 Data: < QY&#164;#    &#246;X&#164;#   > 20 51 59 A4 23 01 00 00 90 F6 58 A4 23 01 00 00 
{92} normal block at 0x00000123A458F750, 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 0x00000123A458ECE0, 16 bytes long.
 Data: <&#160;&#211;W&#164;#           > A0 D3 57 A4 23 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000123A457D3A0, 40 bytes long.
 Data: <&#224;&#236;X&#164;#   P&#247;X&#164;#   > E0 EC 58 A4 23 01 00 00 50 F7 58 A4 23 01 00 00 
{69} normal block at 0x00000123A458F050, 16 bytes long.
 Data: < &#234;&#251;&#253;&#247;           > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000123A458F320, 16 bytes long.
 Data: <@&#233;&#251;&#253;&#247;           > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000123A458EBF0, 16 bytes long.
 Data: <&#248;W&#248;&#253;&#247;           > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000123A458EC40, 16 bytes long.
 Data: <&#216;W&#248;&#253;&#247;           > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000123A458EA10, 16 bytes long.
 Data: <P &#248;&#253;&#247;           > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000123A458F0F0, 16 bytes long.
 Data: <0 &#248;&#253;&#247;           > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000123A458E6F0, 16 bytes long.
 Data: <&#224; &#248;&#253;&#247;           > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000123A458F1E0, 16 bytes long.
 Data: <  &#248;&#253;&#247;           > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000123A458F2D0, 16 bytes long.
 Data: <p &#248;&#253;&#247;           > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000123A458E9C0, 16 bytes long.
 Data: < &#192;&#246;&#253;&#247;           > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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