Task 38670312

Name test_179-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6332_1
Workunit 31612533
Created 25 Oct 2026, 17:07:36 UTC
Sent 25 Oct 2026, 17:07:47 UTC
Report deadline 30 Oct 2026, 17:07:47 UTC
Received 25 Oct 2026, 18:10:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 2 min 4 sec
CPU time 59 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.25 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:09:37 (27656): wrapper (7.9.26016): starting
12:09:37 (27656): 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
12:09:38 (27656): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:09:38 (27656): 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\17\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\17\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
13:10:09 (27656): C:/Windows/system32/cmd.exe exited; CPU time 3575.359375
13:10:09 (27656): 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: 67682969 bytes.
Dumping objects ->
{3835204} normal block at 0x000002710FFCF3A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002710E2C6D00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002710E2C6C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x000002710E2C6D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000002710E2C6AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x0000027110016110, 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) : {3835116} normal block at 0x000002710E2BEBF0, 8 bytes long.
 Data: <  v q   > 00 00 76 0E 71 02 00 00 
{3833967} normal block at 0x000002710E2BF6E0, 8 bytes long.
 Data: < &#181;. q   > 20 B5 2E 0E 71 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002710E2C1160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002710E2B5F10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002710E2C7E50, 16 bytes long.
 Data: <(&#131;, q           > 28 83 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002710E2C7E00, 16 bytes long.
 Data: < &#131;, q           > 00 83 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002710E2C0250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002710E2C76D0, 16 bytes long.
 Data: <&#216;&#130;, q           > D8 82 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002710E2C7360, 16 bytes long.
 Data: <&#176;&#130;, q           > B0 82 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002710E2C7C70, 16 bytes long.
 Data: < &#130;, q           > 88 82 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002710E2C7CC0, 16 bytes long.
 Data: <`&#130;, q           > 60 82 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002710E2C6830, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002710E2C7220, 16 bytes long.
 Data: <h + q           > 68 90 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002710E2C0430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002710E2C7950, 16 bytes long.
 Data: <@ + q           > 40 90 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002710E2C7130, 16 bytes long.
 Data: <  + q           > 18 90 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002710E2C7810, 16 bytes long.
 Data: <&#240; + q           > F0 8F 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002710E2C7680, 16 bytes long.
 Data: <&#200; + q           > C8 8F 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002710E2C78B0, 16 bytes long.
 Data: <&#160; + q           > A0 8F 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002710E2C7DB0, 16 bytes long.
 Data: <x + q           > 78 8F 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002710E2C0010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002710E2C7630, 16 bytes long.
 Data: <P + q           > 50 8F 2B 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002710E2B8F50, 320 bytes long.
 Data: <0v, q     , q   > 30 76 2C 0E 71 02 00 00 10 00 2C 0E 71 02 00 00 
{279} normal block at 0x000002710E2C7C20, 16 bytes long.
 Data: <@&#130;, q           > 40 82 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002710E2C7D60, 16 bytes long.
 Data: < &#130;, q           > 18 82 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002710E2BFFB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002710E2C71D0, 16 bytes long.
 Data: <&#240; , q           > F0 81 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002710E2C01F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002710E2C7D10, 16 bytes long.
 Data: <8 , q           > 38 81 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002710E2C79F0, 16 bytes long.
 Data: <  , q           > 10 81 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002710E2C73B0, 16 bytes long.
 Data: <&#232; , q           > E8 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002710E2C7900, 16 bytes long.
 Data: <&#192; , q           > C0 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002710E2C7F90, 16 bytes long.
 Data: <  , q           > 98 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002710E2C7180, 16 bytes long.
 Data: <p , q           > 70 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002710E2C7EF0, 16 bytes long.
 Data: <&#160;h, q           > A0 68 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002710E2C68A0, 40 bytes long.
 Data: <&#240;~, q    a  q   > F0 7E 2C 0E 71 02 00 00 10 61 01 10 71 02 00 00 
{265} normal block at 0x000002710E2C77C0, 16 bytes long.
 Data: <P , q           > 50 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002710E2C75E0, 16 bytes long.
 Data: <( , q           > 28 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002710E2BFCB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002710E2C7770, 16 bytes long.
 Data: <  , q           > 00 80 2C 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002710E2C8000, 992 bytes long.
 Data: <pw, q   &#176;&#252;+ q   > 70 77 2C 0E 71 02 00 00 B0 FC 2B 0E 71 02 00 00 
{97} normal block at 0x000002710E2C0370, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002710E2BEBA0, 16 bytes long.
 Data: <&#176;&#224;* q           > B0 E0 2A 0E 71 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002710E2AE0B0, 40 bytes long.
 Data: <&#160;&#235;+ q   p , q   > A0 EB 2B 0E 71 02 00 00 70 03 2C 0E 71 02 00 00 
{74} normal block at 0x000002710E2BF460, 16 bytes long.
 Data: < &#234;&#171;&#241;&#247;           > 80 EA AB F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002710E2BF370, 16 bytes long.
 Data: <@&#233;&#171;&#241;&#247;           > 40 E9 AB F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002710E2BF730, 16 bytes long.
 Data: <&#248;W&#168;&#241;&#247;           > F8 57 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002710E2BEA60, 16 bytes long.
 Data: <&#216;W&#168;&#241;&#247;           > D8 57 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002710E2BF3C0, 16 bytes long.
 Data: <P &#168;&#241;&#247;           > 50 04 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002710E2BF2D0, 16 bytes long.
 Data: <0 &#168;&#241;&#247;           > 30 04 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002710E2BF280, 16 bytes long.
 Data: <&#224; &#168;&#241;&#247;           > E0 02 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002710E2BF230, 16 bytes long.
 Data: <  &#168;&#241;&#247;           > 10 04 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002710E2BF0F0, 16 bytes long.
 Data: <p &#168;&#241;&#247;           > 70 04 A8 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002710E2BF690, 16 bytes long.
 Data: < &#192;&#166;&#241;&#247;           > 18 C0 A6 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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