Task 38687345

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7124_0
Workunit 31628737
Created 28 Oct 2026, 7:17:24 UTC
Sent 28 Oct 2026, 7:17:32 UTC
Report deadline 2 Nov 2026, 7:17:32 UTC
Received 28 Oct 2026, 8:16:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 20 min 1 sec
CPU time 18 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.33 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:56:38 (31356): wrapper (7.9.26016): starting
02:56:38 (31356): 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
02:56:39 (31356): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:56:39 (31356): 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\11\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\11\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
03:15:19 (31356): C:/Windows/system32/cmd.exe exited; CPU time 1096.000000
03:15:19 (31356): 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: 21333141 bytes.
Dumping objects ->
{3835250} normal block at 0x000001F31CECC970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001F31B2248F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001F31B224810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001F31B224EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001F31B224E30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001F31CF1B4C0, 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) : {3835162} normal block at 0x000001F31B21EEF0, 8 bytes long.
 Data: <  p &#243;   > 00 00 70 1B F3 01 00 00 
{3833961} normal block at 0x000001F31B21EB80, 8 bytes long.
 Data: < S&#250; &#243;   > 20 53 FA 1C F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F31B220880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F31B216160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F31B225EC0, 16 bytes long.
 Data: <Hh" &#243;           > 48 68 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F31B226410, 16 bytes long.
 Data: < h" &#243;           > 20 68 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F31B21F930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F31B226140, 16 bytes long.
 Data: <&#248;g" &#243;           > F8 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F31B2256F0, 16 bytes long.
 Data: <&#208;g" &#243;           > D0 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F31B225E20, 16 bytes long.
 Data: <&#168;g" &#243;           > A8 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F31B2260F0, 16 bytes long.
 Data: < g" &#243;           > 80 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F31B224B20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F31B2263C0, 16 bytes long.
 Data: <&#200;&#230;! &#243;           > C8 E6 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F31B21F8D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F31B2260A0, 16 bytes long.
 Data: <&#160;&#230;! &#243;           > A0 E6 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F31B225DD0, 16 bytes long.
 Data: <x&#230;! &#243;           > 78 E6 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F31B226050, 16 bytes long.
 Data: <P&#230;! &#243;           > 50 E6 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F31B225CE0, 16 bytes long.
 Data: <(&#230;! &#243;           > 28 E6 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F31B225600, 16 bytes long.
 Data: < &#230;! &#243;           > 00 E6 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F31B226000, 16 bytes long.
 Data: <&#216;&#229;! &#243;           > D8 E5 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F31B21FB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F31B2259C0, 16 bytes long.
 Data: <&#176;&#229;! &#243;           > B0 E5 21 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F31B21E5B0, 320 bytes long.
 Data: <&#192;Y" &#243;    &#251;! &#243;   > C0 59 22 1B F3 01 00 00 10 FB 21 1B F3 01 00 00 
{276} normal block at 0x000001F31B226230, 16 bytes long.
 Data: <`g" &#243;           > 60 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F31B225880, 16 bytes long.
 Data: <8g" &#243;           > 38 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F31B21FD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F31B225BA0, 16 bytes long.
 Data: < g" &#243;           > 10 67 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F31B220170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F31B225BF0, 16 bytes long.
 Data: <Xf" &#243;           > 58 66 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F31B225790, 16 bytes long.
 Data: <0f" &#243;           > 30 66 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F31B225FB0, 16 bytes long.
 Data: < f" &#243;           > 08 66 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F31B2261E0, 16 bytes long.
 Data: <&#224;e" &#243;           > E0 65 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F31B226460, 16 bytes long.
 Data: <&#184;e" &#243;           > B8 65 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F31B225F60, 16 bytes long.
 Data: < e" &#243;           > 90 65 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F31B2258D0, 16 bytes long.
 Data: <PM" &#243;           > 50 4D 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F31B224D50, 40 bytes long.
 Data: <&#208;X" &#243;   &#192;&#180;&#241; &#243;   > D0 58 22 1B F3 01 00 00 C0 B4 F1 1C F3 01 00 00 
{262} normal block at 0x000001F31B2257E0, 16 bytes long.
 Data: <pe" &#243;           > 70 65 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F31B225830, 16 bytes long.
 Data: <He" &#243;           > 48 65 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F31B220530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F31B225A10, 16 bytes long.
 Data: < e" &#243;           > 20 65 22 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F31B226520, 992 bytes long.
 Data: < Z" &#243;   0 " &#243;   > 10 5A 22 1B F3 01 00 00 30 05 22 1B F3 01 00 00 
{94} normal block at 0x000001F31B21FFF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F31B21F0D0, 16 bytes long.
 Data: < &#199;  &#243;           > 10 C7 20 1B F3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F31B20C710, 40 bytes long.
 Data: <&#208;&#240;! &#243;   &#240;&#255;! &#243;   > D0 F0 21 1B F3 01 00 00 F0 FF 21 1B F3 01 00 00 
{71} normal block at 0x000001F31B21EF40, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F31B21ECC0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F31B21E860, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F31B21F3F0, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F31B21ED60, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F31B21F670, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F31B21F210, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F31B21EC70, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F31B21F3A0, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F31B21F580, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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