Task 38685737

Name test_159-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0686_0
Workunit 31627196
Created 27 Oct 2026, 22:38:14 UTC
Sent 27 Oct 2026, 22:38:19 UTC
Report deadline 1 Nov 2026, 22:38:19 UTC
Received 27 Oct 2026, 22:53:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 24 sec
CPU time 11 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.65 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>
23:39:50 (17580): wrapper (7.9.26016): starting
23:39:50 (17580): 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
23:39:51 (17580): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:39:51 (17580): 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
23:52:40 (17580): C:/Windows/system32/cmd.exe exited; CPU time 708.500000
23:52:40 (17580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 10591395 bytes.
Dumping objects ->
{3835237} normal block at 0x000001C37B724480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001C37B7236F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001C37B723840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000001C37B724410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001C379A64CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000001C37B6C9E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001C37B6DF0D0, 102 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) : {3835148} normal block at 0x000001C379A5E3C0, 8 bytes long.
 Data: <  &#162;y&#195;   > 00 00 A2 79 C3 01 00 00 
{3834544} normal block at 0x000001C37B6DEEC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001C379A5D880, 8 bytes long.
 Data: < &#218;&#164;y&#195;   > 80 DA A4 79 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C379A61A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C379A56530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001C379A66190, 16 bytes long.
 Data: <hk&#166;y&#195;           > 68 6B A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C379A65C40, 16 bytes long.
 Data: <@k&#166;y&#195;           > 40 6B A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C379A5F9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001C379A660F0, 16 bytes long.
 Data: < k&#166;y&#195;           > 18 6B A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C379A659C0, 16 bytes long.
 Data: <&#240;j&#166;y&#195;           > F0 6A A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C379A65FB0, 16 bytes long.
 Data: <&#200;j&#166;y&#195;           > C8 6A A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C379A65F10, 16 bytes long.
 Data: <&#160;j&#166;y&#195;           > A0 6A A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C379A64F10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001C379A66000, 16 bytes long.
 Data: <&#168;&#245;&#164;y&#195;           > A8 F5 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C379A5F410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001C379A660A0, 16 bytes long.
 Data: < &#245;&#164;y&#195;           > 80 F5 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C379A65D30, 16 bytes long.
 Data: <X&#245;&#164;y&#195;           > 58 F5 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C379A65970, 16 bytes long.
 Data: <0&#245;&#164;y&#195;           > 30 F5 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C379A66500, 16 bytes long.
 Data: < &#245;&#164;y&#195;           > 08 F5 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C379A666E0, 16 bytes long.
 Data: <&#224;&#244;&#164;y&#195;           > E0 F4 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C379A66640, 16 bytes long.
 Data: <&#184;&#244;&#164;y&#195;           > B8 F4 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C379A5F950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001C379A66320, 16 bytes long.
 Data: < &#244;&#164;y&#195;           > 90 F4 A4 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C379A4F490, 320 bytes long.
 Data: < c&#166;y&#195;   P&#249;&#165;y&#195;   > 20 63 A6 79 C3 01 00 00 50 F9 A5 79 C3 01 00 00 
{277} normal block at 0x000001C379A66050, 16 bytes long.
 Data: < j&#166;y&#195;           > 80 6A A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C379A665F0, 16 bytes long.
 Data: <Xj&#166;y&#195;           > 58 6A A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C379A5FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001C379A65EC0, 16 bytes long.
 Data: <0j&#166;y&#195;           > 30 6A A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C379A5F3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001C379A66460, 16 bytes long.
 Data: <xi&#166;y&#195;           > 78 69 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C379A66410, 16 bytes long.
 Data: <Pi&#166;y&#195;           > 50 69 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C379A65C90, 16 bytes long.
 Data: <(i&#166;y&#195;           > 28 69 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C379A665A0, 16 bytes long.
 Data: < i&#166;y&#195;           > 00 69 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C379A66690, 16 bytes long.
 Data: <&#216;h&#166;y&#195;           > D8 68 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C379A662D0, 16 bytes long.
 Data: <&#176;h&#166;y&#195;           > B0 68 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C379A66280, 16 bytes long.
 Data: <0N&#166;y&#195;           > 30 4E A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C379A64E30, 40 bytes long.
 Data: < b&#166;y&#195;    &#158;l{&#195;   > 80 62 A6 79 C3 01 00 00 00 9E 6C 7B C3 01 00 00 
{263} normal block at 0x000001C379A66550, 16 bytes long.
 Data: < h&#166;y&#195;           > 90 68 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C379A664B0, 16 bytes long.
 Data: <hh&#166;y&#195;           > 68 68 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C379A5F770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001C379A66730, 16 bytes long.
 Data: <@h&#166;y&#195;           > 40 68 A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C379A66840, 992 bytes long.
 Data: <0g&#166;y&#195;   p&#247;&#165;y&#195;   > 30 67 A6 79 C3 01 00 00 70 F7 A5 79 C3 01 00 00 
{95} normal block at 0x000001C379A5F530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001C379A5DD30, 16 bytes long.
 Data: < K&#166;y&#195;           > 20 4B A6 79 C3 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001C379A64B20, 40 bytes long.
 Data: <0&#221;&#165;y&#195;   0&#245;&#165;y&#195;   > 30 DD A5 79 C3 01 00 00 30 F5 A5 79 C3 01 00 00 
{72} normal block at 0x000001C379A5DF10, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C379A5E050, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C379A5DA60, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C379A5DB50, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C379A5DC40, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C379A5E410, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C379A5DA10, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C379A5D790, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C379A5DBF0, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C379A5DDD0, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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