Task 38699917

Name test_794-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6563_0
Workunit 31640267
Created 6 Nov 2026, 2:43:40 UTC
Sent 6 Nov 2026, 2:43:44 UTC
Report deadline 11 Nov 2026, 2:43:44 UTC
Received 6 Nov 2026, 3:59:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652265
Run time 57 min 3 sec
CPU time 49 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.89 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
21:01:59 (13596): wrapper (7.9.26016): starting
21:01:59 (13596): 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
21:02:00 (13596): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:02:00 (13596): 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
21:58:41 (13596): C:/Windows/system32/cmd.exe exited; CPU time 2943.062500
21:58:41 (13596): 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: 56211785 bytes.
Dumping objects ->
{3835241} normal block at 0x00000237D0054950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x00000237D00548E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000237D00549C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x00000237D0054870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000237D0054790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x00000237D1C1A970, 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) : {3835153} normal block at 0x00000237D004EC30, 8 bytes long.
 Data: <  &#252;&#207;7   > 00 00 FC CF 37 02 00 00 
{3833959} normal block at 0x00000237D004EA00, 8 bytes long.
 Data: <&#224;  &#208;7   > E0 99 07 D0 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000237D00501B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000237D0045A20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000237D00553F0, 16 bytes long.
 Data: < _ &#208;7           > 08 5F 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000237D0055A30, 16 bytes long.
 Data: <&#224;^ &#208;7           > E0 5E 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000237D004F4E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000237D00553A0, 16 bytes long.
 Data: <&#184;^ &#208;7           > B8 5E 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000237D00559E0, 16 bytes long.
 Data: < ^ &#208;7           > 90 5E 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000237D0054C20, 16 bytes long.
 Data: <h^ &#208;7           > 68 5E 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000237D0055990, 16 bytes long.
 Data: <@^ &#208;7           > 40 5E 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000237D00546B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000237D00558A0, 16 bytes long.
 Data: <h  &#208;7           > 68 88 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000237D004F900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000237D0055850, 16 bytes long.
 Data: <@  &#208;7           > 40 88 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000237D0055030, 16 bytes long.
 Data: <   &#208;7           > 18 88 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000237D0054CC0, 16 bytes long.
 Data: <&#240;&#135; &#208;7           > F0 87 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000237D0055080, 16 bytes long.
 Data: <&#200;&#135; &#208;7           > C8 87 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000237D0055800, 16 bytes long.
 Data: <&#160;&#135; &#208;7           > A0 87 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000237D0054EF0, 16 bytes long.
 Data: <x&#135; &#208;7           > 78 87 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000237D004FAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000237D0055620, 16 bytes long.
 Data: <P&#135; &#208;7           > 50 87 04 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000237D0048750, 320 bytes long.
 Data: < V &#208;7   &#224;&#250; &#208;7   > 20 56 05 D0 37 02 00 00 E0 FA 04 D0 37 02 00 00 
{275} normal block at 0x00000237D00555D0, 16 bytes long.
 Data: < ^ &#208;7           > 20 5E 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000237D0055260, 16 bytes long.
 Data: <&#248;] &#208;7           > F8 5D 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000237D004F1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000237D0055300, 16 bytes long.
 Data: <&#208;] &#208;7           > D0 5D 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000237D004FF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000237D0055940, 16 bytes long.
 Data: < ] &#208;7           > 18 5D 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000237D0055A80, 16 bytes long.
 Data: <&#240;\ &#208;7           > F0 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000237D0055670, 16 bytes long.
 Data: <&#200;\ &#208;7           > C8 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000237D00558F0, 16 bytes long.
 Data: <&#160;\ &#208;7           > A0 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000237D0054F40, 16 bytes long.
 Data: <x\ &#208;7           > 78 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000237D0054EA0, 16 bytes long.
 Data: <P\ &#208;7           > 50 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000237D0055440, 16 bytes long.
 Data: <@F &#208;7           > 40 46 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000237D0054640, 40 bytes long.
 Data: <@T &#208;7   p&#169;&#193;&#209;7   > 40 54 05 D0 37 02 00 00 70 A9 C1 D1 37 02 00 00 
{261} normal block at 0x00000237D0055210, 16 bytes long.
 Data: <0\ &#208;7           > 30 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000237D00557B0, 16 bytes long.
 Data: < \ &#208;7           > 08 5C 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000237D004F9C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000237D00556C0, 16 bytes long.
 Data: <&#224;[ &#208;7           > E0 5B 05 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000237D0055BE0, 992 bytes long.
 Data: <&#192;V &#208;7   &#192;&#249; &#208;7   > C0 56 05 D0 37 02 00 00 C0 F9 04 D0 37 02 00 00 
{93} normal block at 0x00000237D004F840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000237D004E5A0, 16 bytes long.
 Data: < &#199; &#208;7           > 80 C7 03 D0 37 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000237D003C780, 40 bytes long.
 Data: <&#160;&#229; &#208;7   @&#248; &#208;7   > A0 E5 04 D0 37 02 00 00 40 F8 04 D0 37 02 00 00 
{70} normal block at 0x00000237D004E910, 16 bytes long.
 Data: < &#234;&#174;&#220;&#246;           > 80 EA AE DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000237D004E500, 16 bytes long.
 Data: <@&#233;&#174;&#220;&#246;           > 40 E9 AE DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000237D004E460, 16 bytes long.
 Data: <&#248;W&#171;&#220;&#246;           > F8 57 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000237D004E0A0, 16 bytes long.
 Data: <&#216;W&#171;&#220;&#246;           > D8 57 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000237D004E960, 16 bytes long.
 Data: <P &#171;&#220;&#246;           > 50 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000237D004E820, 16 bytes long.
 Data: <0 &#171;&#220;&#246;           > 30 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000237D004EAA0, 16 bytes long.
 Data: <&#224; &#171;&#220;&#246;           > E0 02 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000237D004EBE0, 16 bytes long.
 Data: <  &#171;&#220;&#246;           > 10 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000237D004E140, 16 bytes long.
 Data: <p &#171;&#220;&#246;           > 70 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000237D004E5F0, 16 bytes long.
 Data: < &#192;&#169;&#220;&#246;           > 18 C0 A9 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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