Task 38687321

Name test_66-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3354_0
Workunit 31628714
Created 28 Oct 2026, 7:09:04 UTC
Sent 28 Oct 2026, 7:09:08 UTC
Report deadline 2 Nov 2026, 7:09:08 UTC
Received 28 Oct 2026, 9:12:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 2 min 2 sec
CPU time 59 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.88 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:10:54 (8872): wrapper (7.9.26016): starting
03:10:54 (8872): 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
03:10:55 (8872): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:10:55 (8872): 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\8\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\8\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
04:12:28 (8872): C:/Windows/system32/cmd.exe exited; CPU time 3542.093750
04:12:28 (8872): 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: 44538759 bytes.
Dumping objects ->
{3835176} normal block at 0x00000193AE795710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000193AE7957F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000193AE795C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x00000193AE796270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x00000193AE795780, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x00000193B02F3F40, 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) : {3835088} normal block at 0x00000193AE766E90, 8 bytes long.
 Data: <  A&#176;&#147;   > 00 00 41 B0 93 01 00 00 
{3833945} normal block at 0x00000193AE766A30, 8 bytes long.
 Data: < &#165;u&#174;&#147;   > 90 A5 75 AE 93 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000193AE771450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000193AE755BC0, 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 0x00000193AE772760, 16 bytes long.
 Data: <H5w&#174;&#147;           > 48 35 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000193AE772A80, 16 bytes long.
 Data: < 5w&#174;&#147;           > 20 35 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000193AE76D690, 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 0x00000193AE772300, 16 bytes long.
 Data: <&#248;4w&#174;&#147;           > F8 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000193AE772710, 16 bytes long.
 Data: <&#208;4w&#174;&#147;           > D0 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000193AE772CB0, 16 bytes long.
 Data: <&#168;4w&#174;&#147;           > A8 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000193AE772990, 16 bytes long.
 Data: < 4w&#174;&#147;           > 80 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000193AE76B940, 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 0x00000193AE772940, 16 bytes long.
 Data: <X[u&#174;&#147;           > 58 5B 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000193AE76D570, 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 0x00000193AE772BC0, 16 bytes long.
 Data: <0[u&#174;&#147;           > 30 5B 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000193AE772C10, 16 bytes long.
 Data: < [u&#174;&#147;           > 08 5B 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000193AE7728F0, 16 bytes long.
 Data: <&#224;Zu&#174;&#147;           > E0 5A 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000193AE772F30, 16 bytes long.
 Data: <&#184;Zu&#174;&#147;           > B8 5A 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000193AE772C60, 16 bytes long.
 Data: < Zu&#174;&#147;           > 90 5A 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000193AE772800, 16 bytes long.
 Data: <hZu&#174;&#147;           > 68 5A 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000193AE76CD90, 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 0x00000193AE7728A0, 16 bytes long.
 Data: <@Zu&#174;&#147;           > 40 5A 75 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000193AE755A40, 320 bytes long.
 Data: <&#160;(w&#174;&#147;    &#205;v&#174;&#147;   > A0 28 77 AE 93 01 00 00 90 CD 76 AE 93 01 00 00 
{268} normal block at 0x00000193AE773070, 16 bytes long.
 Data: <`4w&#174;&#147;           > 60 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000193AE773020, 16 bytes long.
 Data: <84w&#174;&#147;           > 38 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000193AE76D9F0, 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 0x00000193AE772260, 16 bytes long.
 Data: < 4w&#174;&#147;           > 10 34 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000193AE76D630, 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 0x00000193AE7727B0, 16 bytes long.
 Data: <X3w&#174;&#147;           > 58 33 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000193AE7731B0, 16 bytes long.
 Data: <03w&#174;&#147;           > 30 33 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000193AE772D00, 16 bytes long.
 Data: < 3w&#174;&#147;           > 08 33 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000193AE772A30, 16 bytes long.
 Data: <&#224;2w&#174;&#147;           > E0 32 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000193AE7723A0, 16 bytes long.
 Data: <&#184;2w&#174;&#147;           > B8 32 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000193AE772F80, 16 bytes long.
 Data: < 2w&#174;&#147;           > 90 32 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000193AE772440, 16 bytes long.
 Data: <&#224;&#187;v&#174;&#147;           > E0 BB 76 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000193AE76BBE0, 40 bytes long.
 Data: <@$w&#174;&#147;   @?/&#176;&#147;   > 40 24 77 AE 93 01 00 00 40 3F 2F B0 93 01 00 00 
{254} normal block at 0x00000193AE7723F0, 16 bytes long.
 Data: <p2w&#174;&#147;           > 70 32 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000193AE772B20, 16 bytes long.
 Data: <H2w&#174;&#147;           > 48 32 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000193AE76D6F0, 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 0x00000193AE7729E0, 16 bytes long.
 Data: < 2w&#174;&#147;           > 20 32 77 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000193AE773220, 992 bytes long.
 Data: <&#224;)w&#174;&#147;   &#240;&#214;v&#174;&#147;   > E0 29 77 AE 93 01 00 00 F0 D6 76 AE 93 01 00 00 
{86} normal block at 0x00000193AE76CD30, 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 0x00000193AE767390, 16 bytes long.
 Data: <&#160;&#189;v&#174;&#147;           > A0 BD 76 AE 93 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000193AE76BDA0, 40 bytes long.
 Data: < sv&#174;&#147;   0&#205;v&#174;&#147;   > 90 73 76 AE 93 01 00 00 30 CD 76 AE 93 01 00 00 
{63} normal block at 0x00000193AE7676B0, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000193AE766F80, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000193AE7671B0, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000193AE767980, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000193AE766DA0, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000193AE766A80, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000193AE766CB0, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000193AE767340, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000193AE766B70, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000193AE767660, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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