Task 38666804

Name test_709-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND6206_0
Workunit 31609570
Created 25 Oct 2026, 4:49:13 UTC
Sent 25 Oct 2026, 5:03:55 UTC
Report deadline 30 Oct 2026, 5:03:55 UTC
Received 25 Oct 2026, 11:56:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652906
Run time 29 min 55 sec
CPU time 28 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.65 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:45:08 (21668): wrapper (7.9.26016): starting
02:45:08 (21668): 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
02:45:09 (21668): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:45:09 (21668): 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
03:14:37 (21668): C:/Windows/system32/cmd.exe exited; CPU time 1714.937500
03:14:37 (21668): 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: 38420925 bytes.
Dumping objects ->
{3835247} normal block at 0x0000022CD86613A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000022CD8661170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000022CD8660D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x0000022CD8661090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000022CD8660C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000022CD87603D0, 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) : {3835159} normal block at 0x0000022CD6690600, 8 bytes long.
 Data: <  R&#214;,   > 00 00 52 D6 2C 02 00 00 
{3833953} normal block at 0x0000022CD66905B0, 8 bytes long.
 Data: <`&#202;~&#216;,   > 60 CA 7E D8 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022CD669F3F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022CD6686F30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000022CD669D0C0, 16 bytes long.
 Data: <&#168;&#217;i&#214;,           > A8 D9 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022CD669D070, 16 bytes long.
 Data: < &#217;i&#214;,           > 80 D9 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022CD6694080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000022CD669D390, 16 bytes long.
 Data: <X&#217;i&#214;,           > 58 D9 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022CD669C800, 16 bytes long.
 Data: <0&#217;i&#214;,           > 30 D9 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022CD669CDF0, 16 bytes long.
 Data: < &#217;i&#214;,           > 08 D9 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022CD669CD00, 16 bytes long.
 Data: <&#224;&#216;i&#214;,           > E0 D8 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022CD6690D70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000022CD669D610, 16 bytes long.
 Data: <x6i&#214;,           > 78 36 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022CD6694F20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000022CD669CBC0, 16 bytes long.
 Data: <P6i&#214;,           > 50 36 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022CD669CF80, 16 bytes long.
 Data: <(6i&#214;,           > 28 36 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022CD669D2F0, 16 bytes long.
 Data: < 6i&#214;,           > 00 36 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022CD669CB20, 16 bytes long.
 Data: <&#216;5i&#214;,           > D8 35 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022CD669D250, 16 bytes long.
 Data: <&#176;5i&#214;,           > B0 35 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022CD669D430, 16 bytes long.
 Data: < 5i&#214;,           > 88 35 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022CD6694380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000022CD669D5C0, 16 bytes long.
 Data: <`5i&#214;,           > 60 35 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022CD6693560, 320 bytes long.
 Data: <&#192;&#213;i&#214;,    Ci&#214;,   > C0 D5 69 D6 2C 02 00 00 80 43 69 D6 2C 02 00 00 
{272} normal block at 0x0000022CD669CCB0, 16 bytes long.
 Data: <&#192;&#216;i&#214;,           > C0 D8 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022CD669C940, 16 bytes long.
 Data: < &#216;i&#214;,           > 98 D8 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022CD6694D40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000022CD669D1B0, 16 bytes long.
 Data: <p&#216;i&#214;,           > 70 D8 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022CD6694260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000022CD669D110, 16 bytes long.
 Data: <&#184;&#215;i&#214;,           > B8 D7 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022CD669CAD0, 16 bytes long.
 Data: < &#215;i&#214;,           > 90 D7 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022CD669D200, 16 bytes long.
 Data: <h&#215;i&#214;,           > 68 D7 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022CD669D570, 16 bytes long.
 Data: <@&#215;i&#214;,           > 40 D7 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022CD669CD50, 16 bytes long.
 Data: < &#215;i&#214;,           > 18 D7 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022CD669D520, 16 bytes long.
 Data: <&#240;&#214;i&#214;,           > F0 D6 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022CD669D020, 16 bytes long.
 Data: <&#224; i&#214;,           > E0 0D 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022CD6690DE0, 40 bytes long.
 Data: < &#208;i&#214;,   &#208; v&#216;,   > 20 D0 69 D6 2C 02 00 00 D0 03 76 D8 2C 02 00 00 
{258} normal block at 0x0000022CD669CC60, 16 bytes long.
 Data: <&#208;&#214;i&#214;,           > D0 D6 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022CD669CFD0, 16 bytes long.
 Data: <&#168;&#214;i&#214;,           > A8 D6 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022CD6694B60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000022CD669C760, 16 bytes long.
 Data: < &#214;i&#214;,           > 80 D6 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022CD669D680, 992 bytes long.
 Data: <`&#199;i&#214;,   `Ki&#214;,   > 60 C7 69 D6 2C 02 00 00 60 4B 69 D6 2C 02 00 00 
{90} normal block at 0x0000022CD6694740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000022CD6690650, 16 bytes long.
 Data: <  i&#214;,           > 90 13 69 D6 2C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000022CD6691390, 40 bytes long.
 Data: <P i&#214;,   @Gi&#214;,   > 50 06 69 D6 2C 02 00 00 40 47 69 D6 2C 02 00 00 
{67} normal block at 0x0000022CD6690560, 16 bytes long.
 Data: < &#234;&#169;&#146;&#247;           > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022CD668FF70, 16 bytes long.
 Data: <@&#233;&#169;&#146;&#247;           > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022CD668FD90, 16 bytes long.
 Data: <&#248;W&#166;&#146;&#247;           > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022CD66906A0, 16 bytes long.
 Data: <&#216;W&#166;&#146;&#247;           > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022CD668FDE0, 16 bytes long.
 Data: <P &#166;&#146;&#247;           > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022CD6690A10, 16 bytes long.
 Data: <0 &#166;&#146;&#247;           > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022CD6690830, 16 bytes long.
 Data: <&#224; &#166;&#146;&#247;           > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022CD668FD40, 16 bytes long.
 Data: <  &#166;&#146;&#247;           > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022CD668FCA0, 16 bytes long.
 Data: <p &#166;&#146;&#247;           > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022CD66908D0, 16 bytes long.
 Data: < &#192;&#164;&#146;&#247;           > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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