Task 38683065

Name test_403-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND1692_0
Workunit 31624645
Created 27 Oct 2026, 10:17:02 UTC
Sent 27 Oct 2026, 10:17:07 UTC
Report deadline 1 Nov 2026, 10:17:07 UTC
Received 27 Oct 2026, 10:46:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630608
Run time 26 min 1 sec
CPU time 24 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.33 MB
Peak swap size 13.22 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:21:23 (38528): wrapper (7.9.26016): starting
04:21:23 (38528): 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
04:21:25 (38528): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:21:25 (38528): 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\slots\25\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\slots\25\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
04:46:06 (38528): C:/Windows/system32/cmd.exe exited; CPU time 1458.390625
04:46:06 (38528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 28966053 bytes.
Dumping objects ->
{3835291} normal block at 0x000001A9E8D17570, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835280} normal block at 0x000001A9E8D512A0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835269} normal block at 0x000001A9E8D50280, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835258} normal block at 0x000001A9E8D50CA0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835247} normal block at 0x000001A9E8D51360, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x000001A9E8D173B0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835205} normal block at 0x000001A9E62AD840, 185 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) : {3835202} normal block at 0x000001A9E62B7A40, 8 bytes long.
 Data: <  )&#230;&#169;   > 00 00 29 E6 A9 01 00 00 
{3834572} normal block at 0x000001A9E62C2250, 185 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001A9E62B8170, 8 bytes long.
 Data: <&#160;F&#209;&#232;&#169;   > A0 46 D1 E8 A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A9E62C2390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A9E62AA180, 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 0x000001A9E62C32E0, 16 bytes long.
 Data: <xG,&#230;&#169;           > 78 47 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A9E62C4230, 16 bytes long.
 Data: <PG,&#230;&#169;           > 50 47 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A9E62BEE40, 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 0x000001A9E62C3EC0, 16 bytes long.
 Data: <(G,&#230;&#169;           > 28 47 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A9E62C39C0, 16 bytes long.
 Data: < G,&#230;&#169;           > 00 47 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A9E62C3970, 16 bytes long.
 Data: <&#216;F,&#230;&#169;           > D8 46 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A9E62C3920, 16 bytes long.
 Data: <&#176;F,&#230;&#169;           > B0 46 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A9E62BD7F0, 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 0x000001A9E62C40A0, 16 bytes long.
 Data: < &#161;*&#230;&#169;           > 18 A1 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A9E62BF080, 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 0x000001A9E62C3830, 16 bytes long.
 Data: <&#240;&#160;*&#230;&#169;           > F0 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A9E62C37E0, 16 bytes long.
 Data: <&#200;&#160;*&#230;&#169;           > C8 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A9E62C3880, 16 bytes long.
 Data: <&#160;&#160;*&#230;&#169;           > A0 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A9E62C3510, 16 bytes long.
 Data: <x&#160;*&#230;&#169;           > 78 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A9E62C3330, 16 bytes long.
 Data: <P&#160;*&#230;&#169;           > 50 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A9E62C3790, 16 bytes long.
 Data: <(&#160;*&#230;&#169;           > 28 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A9E62BF740, 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 0x000001A9E62C3FB0, 16 bytes long.
 Data: < &#160;*&#230;&#169;           > 00 A0 2A E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A9E62AA000, 320 bytes long.
 Data: <&#176;?,&#230;&#169;   @&#247;+&#230;&#169;   > B0 3F 2C E6 A9 01 00 00 40 F7 2B E6 A9 01 00 00 
{268} normal block at 0x000001A9E62C41E0, 16 bytes long.
 Data: < F,&#230;&#169;           > 90 46 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9E62C3BF0, 16 bytes long.
 Data: <hF,&#230;&#169;           > 68 46 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A9E62BF9E0, 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 0x000001A9E62C3420, 16 bytes long.
 Data: <@F,&#230;&#169;           > 40 46 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A9E62BFB00, 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 0x000001A9E62C38D0, 16 bytes long.
 Data: < E,&#230;&#169;           > 88 45 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A9E62C4190, 16 bytes long.
 Data: <`E,&#230;&#169;           > 60 45 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A9E62C3740, 16 bytes long.
 Data: <8E,&#230;&#169;           > 38 45 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A9E62C3A10, 16 bytes long.
 Data: < E,&#230;&#169;           > 10 45 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A9E62C3C40, 16 bytes long.
 Data: <&#232;D,&#230;&#169;           > E8 44 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A9E62C3F60, 16 bytes long.
 Data: <&#192;D,&#230;&#169;           > C0 44 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A9E62C4140, 16 bytes long.
 Data: <&#160;&#221;+&#230;&#169;           > A0 DD 2B E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A9E62BDDA0, 40 bytes long.
 Data: <@A,&#230;&#169;   &#176;s&#209;&#232;&#169;   > 40 41 2C E6 A9 01 00 00 B0 73 D1 E8 A9 01 00 00 
{254} normal block at 0x000001A9E62C36F0, 16 bytes long.
 Data: <&#160;D,&#230;&#169;           > A0 44 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A9E62C3F10, 16 bytes long.
 Data: <xD,&#230;&#169;           > 78 44 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A9E62BFA40, 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 0x000001A9E62C3E70, 16 bytes long.
 Data: <PD,&#230;&#169;           > 50 44 2C E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A9E62C4450, 992 bytes long.
 Data: <p>,&#230;&#169;   @&#250;+&#230;&#169;   > 70 3E 2C E6 A9 01 00 00 40 FA 2B E6 A9 01 00 00 
{86} normal block at 0x000001A9E62BF6E0, 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 0x000001A9E62B8710, 16 bytes long.
 Data: <&#208;&#216;+&#230;&#169;           > D0 D8 2B E6 A9 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001A9E62BD8D0, 40 bytes long.
 Data: < &#135;+&#230;&#169;   &#224;&#246;+&#230;&#169;   > 10 87 2B E6 A9 01 00 00 E0 F6 2B E6 A9 01 00 00 
{63} normal block at 0x000001A9E62B8350, 16 bytes long.
 Data: < &#234;\1&#246;           > 80 EA 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A9E62B86C0, 16 bytes long.
 Data: <@&#233;\1&#246;           > 40 E9 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A9E62B8530, 16 bytes long.
 Data: <&#248;WY1&#246;           > F8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A9E62B83A0, 16 bytes long.
 Data: <&#216;WY1&#246;           > D8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A9E62B8030, 16 bytes long.
 Data: <P Y1&#246;           > 50 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A9E62B7EF0, 16 bytes long.
 Data: <0 Y1&#246;           > 30 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A9E62B7EA0, 16 bytes long.
 Data: <&#224; Y1&#246;           > E0 02 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A9E62B7DB0, 16 bytes long.
 Data: <  Y1&#246;           > 10 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001A9E62B7C70, 16 bytes long.
 Data: <p Y1&#246;           > 70 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001A9E62B84E0, 16 bytes long.
 Data: < &#192;W1&#246;           > 18 C0 57 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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