Task 38675993

Name test_675-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6472_0
Workunit 31617931
Created 26 Oct 2026, 9:56:06 UTC
Sent 26 Oct 2026, 9:56:15 UTC
Report deadline 31 Oct 2026, 9:56:15 UTC
Received 26 Oct 2026, 11:01:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653922
Run time 1 hours 0 min 27 sec
CPU time 56 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.44 MB
Peak swap size 2.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:02:06 (1760): wrapper (7.9.26016): starting
11:02:06 (1760): 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
11:02:08 (1760): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:02:08 (1760): 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 'D:\boinc\data\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 'D:\boinc\data\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
12:01:13 (1760): C:/Windows/system32/cmd.exe exited; CPU time 3365.484375
12:01:13 (1760): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 35113335 bytes.
Dumping objects ->
{3835414} normal block at 0x000002470BE60630, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835403} normal block at 0x000002470D9E3530, 32 bytes long.
 Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835392} normal block at 0x000002470D9E2BD0, 32 bytes long.
 Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74 
{3835381} normal block at 0x000002470D9E3170, 32 bytes long.
 Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
{3835370} normal block at 0x000002470D9E2690, 32 bytes long.
 Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C 
{3835339} normal block at 0x000002470BE600F0, 48 bytes long.
 Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 
..\api\boinc_api.cpp(309) : {3835326} normal block at 0x000002470BE57D70, 8 bytes long.
 Data: <  &#225; G   > 00 00 E1 0B 47 02 00 00 
{3833945} normal block at 0x000002470BE57B90, 8 bytes long.
 Data: <`^&#158; G   > 60 5E 9E 0D 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002470BE5F1A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002470BE60E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002470BE60F30, 16 bytes long.
 Data: < "&#230; G           > 18 22 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002470BE61160, 16 bytes long.
 Data: <&#240;!&#230; G           > F0 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002470BE5CA70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002470BE614D0, 16 bytes long.
 Data: <&#200;!&#230; G           > C8 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002470BE61BB0, 16 bytes long.
 Data: <&#160;!&#230; G           > A0 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002470BE61070, 16 bytes long.
 Data: <x!&#230; G           > 78 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002470BE61480, 16 bytes long.
 Data: <P!&#230; G           > 50 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002470BE60470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002470BE61840, 16 bytes long.
 Data: <&#200; &#230; G           > C8 0D E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002470BE5C710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002470BE61E80, 16 bytes long.
 Data: <&#160; &#230; G           > A0 0D E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002470BE61020, 16 bytes long.
 Data: <x &#230; G           > 78 0D E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002470BE61110, 16 bytes long.
 Data: <P &#230; G           > 50 0D E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002470BE612F0, 16 bytes long.
 Data: <( &#230; G           > 28 0D E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002470BE617F0, 16 bytes long.
 Data: <  &#230; G           > 00 0D E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002470BE61430, 16 bytes long.
 Data: <&#216; &#230; G           > D8 0C E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002470BE5C650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002470BE613E0, 16 bytes long.
 Data: <&#176; &#230; G           > B0 0C E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002470BE60CB0, 320 bytes long.
 Data: <&#224; &#230; G   P&#198;&#229; G   > E0 13 E6 0B 47 02 00 00 50 C6 E5 0B 47 02 00 00 
{268} normal block at 0x000002470BE615C0, 16 bytes long.
 Data: <0!&#230; G           > 30 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002470BE61B60, 16 bytes long.
 Data: < !&#230; G           > 08 21 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002470BE5C410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002470BE611B0, 16 bytes long.
 Data: <&#224; &#230; G           > E0 20 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002470BE5C5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002470BE619D0, 16 bytes long.
 Data: <( &#230; G           > 28 20 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002470BE61C00, 16 bytes long.
 Data: <  &#230; G           > 00 20 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002470BE61570, 16 bytes long.
 Data: <&#216; &#230; G           > D8 1F E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002470BE61390, 16 bytes long.
 Data: <&#176; &#230; G           > B0 1F E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002470BE61B10, 16 bytes long.
 Data: <  &#230; G           > 88 1F E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002470BE61DE0, 16 bytes long.
 Data: <` &#230; G           > 60 1F E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002470BE60FD0, 16 bytes long.
 Data: <&#192; &#230; G           > C0 05 E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002470BE605C0, 40 bytes long.
 Data: <&#208; &#230; G   &#240; &#230; G   > D0 0F E6 0B 47 02 00 00 F0 00 E6 0B 47 02 00 00 
{254} normal block at 0x000002470BE617A0, 16 bytes long.
 Data: <@ &#230; G           > 40 1F E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002470BE61A20, 16 bytes long.
 Data: <  &#230; G           > 18 1F E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002470BE5CA10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002470BE61AC0, 16 bytes long.
 Data: <&#240; &#230; G           > F0 1E E6 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002470BE61EF0, 992 bytes long.
 Data: <&#192; &#230; G    &#202;&#229; G   > C0 1A E6 0B 47 02 00 00 10 CA E5 0B 47 02 00 00 
{86} normal block at 0x000002470BE5C950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002470BE57AF0, 16 bytes long.
 Data: <0n&#228; G           > 30 6E E4 0B 47 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002470BE46E30, 40 bytes long.
 Data: <&#240;z&#229; G   P&#201;&#229; G   > F0 7A E5 0B 47 02 00 00 50 C9 E5 0B 47 02 00 00 
{63} normal block at 0x000002470BE58360, 16 bytes long.
 Data: < &#234;6,&#246;           > 80 EA 36 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002470BE585E0, 16 bytes long.
 Data: <@&#233;6,&#246;           > 40 E9 36 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002470BE57AA0, 16 bytes long.
 Data: <&#248;W3,&#246;           > F8 57 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002470BE57780, 16 bytes long.
 Data: <&#216;W3,&#246;           > D8 57 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002470BE57EB0, 16 bytes long.
 Data: <P 3,&#246;           > 50 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002470BE58180, 16 bytes long.
 Data: <0 3,&#246;           > 30 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002470BE57A50, 16 bytes long.
 Data: <&#224; 3,&#246;           > E0 02 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002470BE584F0, 16 bytes long.
 Data: <  3,&#246;           > 10 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002470BE57C80, 16 bytes long.
 Data: <p 3,&#246;           > 70 04 33 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002470BE57730, 16 bytes long.
 Data: < &#192;1,&#246;           > 18 C0 31 2C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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