Task 38678677

Name test_247-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4008_0
Workunit 31620485
Created 26 Oct 2026, 18:09:51 UTC
Sent 26 Oct 2026, 18:09:56 UTC
Report deadline 31 Oct 2026, 18:09:56 UTC
Received 26 Oct 2026, 19:19:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 9 sec
CPU time 1 hours 0 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.19 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:16:40 (13216): wrapper (7.9.26016): starting
07:16:40 (13216): 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
07:16:42 (13216): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:16:42 (13216): 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\4\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\4\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
08:18:30 (13216): C:/Windows/system32/cmd.exe exited; CPU time 3652.875000
08:18:30 (13216): 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: 61176261 bytes.
Dumping objects ->
{3835297} normal block at 0x0000026A43A477D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x0000026A43A46AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000026A43A47140, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x0000026A41F2B630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000026A41F2B5C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x0000026A439AB6C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000026A43A0DC40, 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) : {3835208} normal block at 0x0000026A41F26AF0, 8 bytes long.
 Data: <  &#177;Cj   > 00 00 B1 43 6A 02 00 00 
{3834578} normal block at 0x0000026A43A0CFE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000026A41F27090, 8 bytes long.
 Data: <&#208;]&#164;Cj   > D0 5D A4 43 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026A41F30190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026A41F15CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000026A41F314A0, 16 bytes long.
 Data: < 6&#243;Aj           > 98 36 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026A41F319F0, 16 bytes long.
 Data: <p6&#243;Aj           > 70 36 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026A41F2CF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000026A41F318B0, 16 bytes long.
 Data: <H6&#243;Aj           > 48 36 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026A41F31450, 16 bytes long.
 Data: < 6&#243;Aj           > 20 36 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026A41F31860, 16 bytes long.
 Data: <&#248;5&#243;Aj           > F8 35 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026A41F31D10, 16 bytes long.
 Data: <&#208;5&#243;Aj           > D0 35 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026A41F2B860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000026A41F31900, 16 bytes long.
 Data: <X\&#241;Aj           > 58 5C F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026A41F2D2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000026A41F315E0, 16 bytes long.
 Data: <0\&#241;Aj           > 30 5C F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026A41F317C0, 16 bytes long.
 Data: < \&#241;Aj           > 08 5C F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026A41F31400, 16 bytes long.
 Data: <&#224;[&#241;Aj           > E0 5B F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026A41F31220, 16 bytes long.
 Data: <&#184;[&#241;Aj           > B8 5B F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026A41F313B0, 16 bytes long.
 Data: < [&#241;Aj           > 90 5B F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026A41F31BD0, 16 bytes long.
 Data: <h[&#241;Aj           > 68 5B F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026A41F2CA70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000026A41F31360, 16 bytes long.
 Data: <@[&#241;Aj           > 40 5B F1 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026A41F15B40, 320 bytes long.
 Data: <` &#243;Aj   p&#202;&#242;Aj   > 60 13 F3 41 6A 02 00 00 70 CA F2 41 6A 02 00 00 
{271} normal block at 0x0000026A41F31180, 16 bytes long.
 Data: <&#176;5&#243;Aj           > B0 35 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026A41F31310, 16 bytes long.
 Data: < 5&#243;Aj           > 88 35 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026A41F2D490, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000026A41F31B30, 16 bytes long.
 Data: <`5&#243;Aj           > 60 35 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026A41F2D130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000026A41F31AE0, 16 bytes long.
 Data: <&#168;4&#243;Aj           > A8 34 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026A41F31720, 16 bytes long.
 Data: < 4&#243;Aj           > 80 34 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026A41F31950, 16 bytes long.
 Data: <X4&#243;Aj           > 58 34 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026A41F310E0, 16 bytes long.
 Data: <04&#243;Aj           > 30 34 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026A41F31DB0, 16 bytes long.
 Data: < 4&#243;Aj           > 08 34 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026A41F31590, 16 bytes long.
 Data: <&#224;3&#243;Aj           > E0 33 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026A41F31270, 16 bytes long.
 Data: <@&#178;&#242;Aj           > 40 B2 F2 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026A41F2B240, 40 bytes long.
 Data: <p &#243;Aj   &#192;&#182;&#154;Cj   > 70 12 F3 41 6A 02 00 00 C0 B6 9A 43 6A 02 00 00 
{257} normal block at 0x0000026A41F31040, 16 bytes long.
 Data: <&#192;3&#243;Aj           > C0 33 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026A41F31A40, 16 bytes long.
 Data: < 3&#243;Aj           > 98 33 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026A41F2CE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000026A41F30FF0, 16 bytes long.
 Data: <p3&#243;Aj           > 70 33 F3 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000026A41F33370, 992 bytes long.
 Data: <&#240; &#243;Aj   0&#206;&#242;Aj   > F0 0F F3 41 6A 02 00 00 30 CE F2 41 6A 02 00 00 
{89} normal block at 0x0000026A41F2CC50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000026A41F26CD0, 16 bytes long.
 Data: <&#240;&#183;&#242;Aj           > F0 B7 F2 41 6A 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000026A41F2B7F0, 40 bytes long.
 Data: <&#208;l&#242;Aj   P&#204;&#242;Aj   > D0 6C F2 41 6A 02 00 00 50 CC F2 41 6A 02 00 00 
{66} normal block at 0x0000026A41F26C80, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026A41F26EB0, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026A41F26F50, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026A41F269B0, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026A41F26DC0, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026A41F267D0, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026A41F27400, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026A41F26820, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026A41F26D70, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026A41F271D0, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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