Task 38667073

Name test_66-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9384_1
Workunit 31607370
Created 25 Oct 2026, 6:13:28 UTC
Sent 25 Oct 2026, 6:13:31 UTC
Report deadline 30 Oct 2026, 6:13:31 UTC
Received 25 Oct 2026, 17:38:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 9 hours 7 min 7 sec
CPU time 8 hours 18 min 58 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 682.70 MB
Peak swap size 2.26 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:28:40 (7080): wrapper (7.9.26016): starting
11:28:40 (7080): 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
11:28:45 (7080): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:28:45 (7080): 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\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 'D:\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
20:34:07 (7080): C:/Windows/system32/cmd.exe exited; CPU time 29938.093750
20:34:08 (7080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 453164639 bytes.
Dumping objects ->
{3835529} normal block at 0x000001DBAE801390, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000001DBB0465B40, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000001DBB0465AE0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000001DBB04659C0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000001DBB0465F00, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000001DBAE8012B0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000001DBAE7F94B0, 200 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) : {3835440} normal block at 0x000001DBAE7F6F40, 8 bytes long.
 Data: <  -&#176;&#219;   > 00 00 2D B0 DB 01 00 00 
{3834685} normal block at 0x000001DBAE7F8D40, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001DBAE7F78A0, 8 bytes long.
 Data: <&#160;&#233;,&#176;&#219;   > A0 E9 2C B0 DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001DBAE801C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DBAE7E5F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001DBAE803290, 16 bytes long.
 Data: < =&#128;&#174;&#219;           > 08 3D 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DBAE802E30, 16 bytes long.
 Data: <&#224;<&#128;&#174;&#219;           > E0 3C 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DBAE7FC630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001DBAE802B10, 16 bytes long.
 Data: <&#184;<&#128;&#174;&#219;           > B8 3C 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DBAE803830, 16 bytes long.
 Data: <&#144;<&#128;&#174;&#219;           > 90 3C 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DBAE803240, 16 bytes long.
 Data: <h<&#128;&#174;&#219;           > 68 3C 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DBAE803510, 16 bytes long.
 Data: <@<&#128;&#174;&#219;           > 40 3C 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DBAE801470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001DBAE802F20, 16 bytes long.
 Data: <&#184;^~&#174;&#219;           > B8 5E 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DBAE7FC750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001DBAE8034C0, 16 bytes long.
 Data: <&#144;^~&#174;&#219;           > 90 5E 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DBAE802ED0, 16 bytes long.
 Data: <h^~&#174;&#219;           > 68 5E 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DBAE8037E0, 16 bytes long.
 Data: <@^~&#174;&#219;           > 40 5E 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DBAE802A70, 16 bytes long.
 Data: < ^~&#174;&#219;           > 18 5E 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DBAE803060, 16 bytes long.
 Data: <&#240;]~&#174;&#219;           > F0 5D 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DBAE803150, 16 bytes long.
 Data: <&#200;]~&#174;&#219;           > C8 5D 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DBAE7FC090, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x000001DBAE802D90, 16 bytes long.
 Data: <&#160;]~&#174;&#219;           > A0 5D 7E AE DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DBAE7E5DA0, 320 bytes long.
 Data: <&#144;-&#128;&#174;&#219;   &#144;&#192; &#174;&#219;   > 90 2D 80 AE DB 01 00 00 90 C0 7F AE DB 01 00 00 
{267} normal block at 0x000001DBAE803790, 16 bytes long.
 Data: < <&#128;&#174;&#219;           > 20 3C 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DBAE803470, 16 bytes long.
 Data: <&#248;;&#128;&#174;&#219;           > F8 3B 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DBAE7FC510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001DBAE8036A0, 16 bytes long.
 Data: <&#208;;&#128;&#174;&#219;           > D0 3B 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DBAE7FBB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001DBAE8030B0, 16 bytes long.
 Data: < ;&#128;&#174;&#219;           > 18 3B 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DBAE803650, 16 bytes long.
 Data: <&#240;:&#128;&#174;&#219;           > F0 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DBAE803600, 16 bytes long.
 Data: <&#200;:&#128;&#174;&#219;           > C8 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DBAE803560, 16 bytes long.
 Data: <&#160;:&#128;&#174;&#219;           > A0 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DBAE802AC0, 16 bytes long.
 Data: <x:&#128;&#174;&#219;           > 78 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DBAE8031F0, 16 bytes long.
 Data: <P:&#128;&#174;&#219;           > 50 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DBAE8032E0, 16 bytes long.
 Data: <  &#128;&#174;&#219;           > 20 13 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001DBAE801320, 40 bytes long.
 Data: <&#224;2&#128;&#174;&#219;   &#176; &#128;&#174;&#219;   > E0 32 80 AE DB 01 00 00 B0 12 80 AE DB 01 00 00 
{253} normal block at 0x000001DBAE802DE0, 16 bytes long.
 Data: <0:&#128;&#174;&#219;           > 30 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001DBAE8031A0, 16 bytes long.
 Data: < :&#128;&#174;&#219;           > 08 3A 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001DBAE7FC4B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001DBAE8035B0, 16 bytes long.
 Data: <&#224;9&#128;&#174;&#219;           > E0 39 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001DBAE8039E0, 992 bytes long.
 Data: <&#176;5&#128;&#174;&#219;   &#176;&#196; &#174;&#219;   > B0 35 80 AE DB 01 00 00 B0 C4 7F AE DB 01 00 00 
{85} normal block at 0x000001DBAE7FC150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001DBAE7F7210, 16 bytes long.
 Data: <  &#128;&#174;&#219;           > 00 14 80 AE DB 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001DBAE801400, 40 bytes long.
 Data: < r &#174;&#219;   P&#193; &#174;&#219;   > 10 72 7F AE DB 01 00 00 50 C1 7F AE DB 01 00 00 
{62} normal block at 0x000001DBAE7F73F0, 16 bytes long.
 Data: <&#128;&#234;&#187;3&#246;           > 80 EA BB 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DBAE7F76C0, 16 bytes long.
 Data: <@&#233;&#187;3&#246;           > 40 E9 BB 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DBAE7F7A30, 16 bytes long.
 Data: <&#248;W&#184;3&#246;           > F8 57 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DBAE7F7670, 16 bytes long.
 Data: <&#216;W&#184;3&#246;           > D8 57 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DBAE7F7170, 16 bytes long.
 Data: <P &#184;3&#246;           > 50 04 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001DBAE7F71C0, 16 bytes long.
 Data: <0 &#184;3&#246;           > 30 04 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001DBAE7F7620, 16 bytes long.
 Data: <&#224; &#184;3&#246;           > E0 02 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001DBAE7F70D0, 16 bytes long.
 Data: <  &#184;3&#246;           > 10 04 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001DBAE7F7530, 16 bytes long.
 Data: <p &#184;3&#246;           > 70 04 B8 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001DBAE7F6E50, 16 bytes long.
 Data: < &#192;&#182;3&#246;           > 18 C0 B6 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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