Task 38677324

Name test_118-GPUGRID_TEST_ATM_500_20261023-0-1-RND8075_1
Workunit 31590455
Created 26 Oct 2026, 13:58:51 UTC
Sent 26 Oct 2026, 13:58:54 UTC
Report deadline 31 Oct 2026, 13:58:54 UTC
Received 26 Oct 2026, 16:31:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 39 min 31 sec
CPU time 37 min 1 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.13 MB
Peak swap size 12.92 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:53:02 (14372): wrapper (7.9.26016): starting
16:53:02 (14372): 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
16:53:04 (14372): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:53:04 (14372): 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\5\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\5\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
17:30:16 (14372): C:/Windows/system32/cmd.exe exited; CPU time 2221.734375
17:30:16 (14372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 58473163 bytes.
Dumping objects ->
{3835258} normal block at 0x000001D735BA12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001D735BA11E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001D735BA1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000001D735BA0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001D735BA0D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000001D735C4B8A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001D735D33570, 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) : {3835169} normal block at 0x000001D733F75FD0, 8 bytes long.
 Data: <  &#238;3&#215;   > 00 00 EE 33 D7 01 00 00 
{3834553} normal block at 0x000001D735D33BF0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001D733F75A30, 8 bytes long.
 Data: <`&#198;&#252;3&#215;   > 60 C6 FC 33 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D733F80BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D733F6B590, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001D733F820B0, 16 bytes long.
 Data: <&#232;.&#248;3&#215;           > E8 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D733F822E0, 16 bytes long.
 Data: <&#192;.&#248;3&#215;           > C0 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D733F7B840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001D733F82060, 16 bytes long.
 Data: < .&#248;3&#215;           > 98 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D733F81F70, 16 bytes long.
 Data: <p.&#248;3&#215;           > 70 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D733F81F20, 16 bytes long.
 Data: <H.&#248;3&#215;           > 48 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D733F827E0, 16 bytes long.
 Data: < .&#248;3&#215;           > 20 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D733F7A360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001D733F81DE0, 16 bytes long.
 Data: < &#178;&#246;3&#215;           > 88 B2 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D733F7B900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001D733F82290, 16 bytes long.
 Data: <`&#178;&#246;3&#215;           > 60 B2 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D733F82560, 16 bytes long.
 Data: <8&#178;&#246;3&#215;           > 38 B2 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D733F82790, 16 bytes long.
 Data: < &#178;&#246;3&#215;           > 10 B2 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D733F82B50, 16 bytes long.
 Data: <&#232;&#177;&#246;3&#215;           > E8 B1 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D733F82740, 16 bytes long.
 Data: <&#192;&#177;&#246;3&#215;           > C0 B1 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D733F81D90, 16 bytes long.
 Data: < &#177;&#246;3&#215;           > 98 B1 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D733F7BBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001D733F81D40, 16 bytes long.
 Data: <p&#177;&#246;3&#215;           > 70 B1 F6 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D733F6B170, 320 bytes long.
 Data: <@ &#248;3&#215;   &#160;&#187;&#247;3&#215;   > 40 1D F8 33 D7 01 00 00 A0 BB F7 33 D7 01 00 00 
{269} normal block at 0x000001D733F81ED0, 16 bytes long.
 Data: < .&#248;3&#215;           > 00 2E F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D733F82380, 16 bytes long.
 Data: <&#216;-&#248;3&#215;           > D8 2D F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D733F7BA20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001D733F82B00, 16 bytes long.
 Data: <&#176;-&#248;3&#215;           > B0 2D F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D733F7B6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001D733F81C50, 16 bytes long.
 Data: <&#248;,&#248;3&#215;           > F8 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D733F81E80, 16 bytes long.
 Data: <&#208;,&#248;3&#215;           > D0 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D733F81CA0, 16 bytes long.
 Data: <&#168;,&#248;3&#215;           > A8 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D733F82970, 16 bytes long.
 Data: < ,&#248;3&#215;           > 80 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D733F82240, 16 bytes long.
 Data: <X,&#248;3&#215;           > 58 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D733F826A0, 16 bytes long.
 Data: <0,&#248;3&#215;           > 30 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D733F81C00, 16 bytes long.
 Data: <&#224;&#166;&#247;3&#215;           > E0 A6 F7 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D733F7A6E0, 40 bytes long.
 Data: <  &#248;3&#215;   &#160;&#184;&#196;5&#215;   > 00 1C F8 33 D7 01 00 00 A0 B8 C4 35 D7 01 00 00 
{255} normal block at 0x000001D733F829C0, 16 bytes long.
 Data: < ,&#248;3&#215;           > 10 2C F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D733F82650, 16 bytes long.
 Data: <&#232;+&#248;3&#215;           > E8 2B F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D733F7BF60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001D733F82510, 16 bytes long.
 Data: <&#192;+&#248;3&#215;           > C0 2B F8 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D733F82BC0, 992 bytes long.
 Data: < %&#248;3&#215;   `&#191;&#247;3&#215;   > 10 25 F8 33 D7 01 00 00 60 BF F7 33 D7 01 00 00 
{87} normal block at 0x000001D733F7C560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001D733F75E90, 16 bytes long.
 Data: <p&#166;&#247;3&#215;           > 70 A6 F7 33 D7 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001D733F7A670, 40 bytes long.
 Data: < ^&#247;3&#215;   `&#197;&#247;3&#215;   > 90 5E F7 33 D7 01 00 00 60 C5 F7 33 D7 01 00 00 
{64} normal block at 0x000001D733F758A0, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D733F75EE0, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D733F75670, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D733F75DF0, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D733F75C10, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D733F75620, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D733F757B0, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D733F76020, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D733F762F0, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D733F75B70, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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