Task 38678074

Name test_909-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7100_0
Workunit 31619916
Created 26 Oct 2026, 16:18:29 UTC
Sent 26 Oct 2026, 16:18:31 UTC
Report deadline 31 Oct 2026, 16:18:31 UTC
Received 26 Oct 2026, 17:37:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 59 min 1 sec
CPU time 51 min 30 sec
Validate state Valid
Credit 60,000.00
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 670.75 MB
Peak swap size 2.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:35:44 (4116): wrapper (7.9.26016): starting
19:35:44 (4116): 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
19:35:47 (4116): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:35:47 (4116): 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\1\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\1\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
20:33:04 (4116): C:/Windows/system32/cmd.exe exited; CPU time 3090.171875
20:33:04 (4116): 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: 43128955 bytes.
Dumping objects ->
{3835529} normal block at 0x000001E5DA9C1050, 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 0x000001E5DC475FA0, 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 0x000001E5DC475F40, 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 0x000001E5DC475A00, 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 0x000001E5DC475CA0, 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 0x000001E5DA9C1670, 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 0x000001E5DA9BA530, 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 0x000001E5DA9B71D0, 8 bytes long.
 Data: <  &#144;&#218;&#229;   > 00 00 90 DA E5 01 00 00 
{3834685} normal block at 0x000001E5DA9B8AA0, 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 0x000001E5DA9B6960, 8 bytes long.
 Data: <PPL&#220;&#229;   > 50 50 4C DC E5 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001E5DA9C1E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E5DA9C2DD0, 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 0x000001E5DA9C3A10, 16 bytes long.
 Data: <&#184;A&#156;&#218;&#229;           > B8 41 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E5DA9C31F0, 16 bytes long.
 Data: <&#144;A&#156;&#218;&#229;           > 90 41 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E5DA9BC260, 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 0x000001E5DA9C3380, 16 bytes long.
 Data: <hA&#156;&#218;&#229;           > 68 41 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E5DA9C3BA0, 16 bytes long.
 Data: <@A&#156;&#218;&#229;           > 40 41 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E5DA9C3060, 16 bytes long.
 Data: < A&#156;&#218;&#229;           > 18 41 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E5DA9C3970, 16 bytes long.
 Data: <&#240;@&#156;&#218;&#229;           > F0 40 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E5DA9C1210, 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 0x000001E5DA9C3740, 16 bytes long.
 Data: <h-&#156;&#218;&#229;           > 68 2D 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E5DA9BC680, 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 0x000001E5DA9C3A60, 16 bytes long.
 Data: <@-&#156;&#218;&#229;           > 40 2D 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E5DA9C3240, 16 bytes long.
 Data: < -&#156;&#218;&#229;           > 18 2D 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E5DA9C3D80, 16 bytes long.
 Data: <&#240;,&#156;&#218;&#229;           > F0 2C 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E5DA9C3010, 16 bytes long.
 Data: <&#200;,&#156;&#218;&#229;           > C8 2C 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E5DA9C3560, 16 bytes long.
 Data: <&#160;,&#156;&#218;&#229;           > A0 2C 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E5DA9C2F70, 16 bytes long.
 Data: <x,&#156;&#218;&#229;           > 78 2C 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E5DA9BBBA0, 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 0x000001E5DA9C2FC0, 16 bytes long.
 Data: <P,&#156;&#218;&#229;           > 50 2C 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E5DA9C2C50, 320 bytes long.
 Data: <&#192;/&#156;&#218;&#229;   &#160;&#187;&#155;&#218;&#229;   > C0 2F 9C DA E5 01 00 00 A0 BB 9B DA E5 01 00 00 
{267} normal block at 0x000001E5DA9C3600, 16 bytes long.
 Data: <&#208;@&#156;&#218;&#229;           > D0 40 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E5DA9C3C90, 16 bytes long.
 Data: <&#168;@&#156;&#218;&#229;           > A8 40 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E5DA9BC020, 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 0x000001E5DA9C36A0, 16 bytes long.
 Data: <&#128;@&#156;&#218;&#229;           > 80 40 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E5DA9BB8A0, 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 0x000001E5DA9C3100, 16 bytes long.
 Data: <&#200;?&#156;&#218;&#229;           > C8 3F 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E5DA9C36F0, 16 bytes long.
 Data: <&#160;?&#156;&#218;&#229;           > A0 3F 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E5DA9C3920, 16 bytes long.
 Data: <x?&#156;&#218;&#229;           > 78 3F 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E5DA9C3B50, 16 bytes long.
 Data: <P?&#156;&#218;&#229;           > 50 3F 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E5DA9C3470, 16 bytes long.
 Data: <(?&#156;&#218;&#229;           > 28 3F 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E5DA9C3830, 16 bytes long.
 Data: < ?&#156;&#218;&#229;           > 00 3F 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E5DA9C3CE0, 16 bytes long.
 Data: <0 &#156;&#218;&#229;           > 30 11 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E5DA9C1130, 40 bytes long.
 Data: <&#224;<&#156;&#218;&#229;   p &#156;&#218;&#229;   > E0 3C 9C DA E5 01 00 00 70 16 9C DA E5 01 00 00 
{253} normal block at 0x000001E5DA9C31A0, 16 bytes long.
 Data: <&#224;>&#156;&#218;&#229;           > E0 3E 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E5DA9C34C0, 16 bytes long.
 Data: <&#184;>&#156;&#218;&#229;           > B8 3E 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001E5DA9BC200, 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 0x000001E5DA9C3DD0, 16 bytes long.
 Data: <&#144;>&#156;&#218;&#229;           > 90 3E 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001E5DA9C3E90, 992 bytes long.
 Data: <&#208;=&#156;&#218;&#229;    &#194;&#155;&#218;&#229;   > D0 3D 9C DA E5 01 00 00 00 C2 9B DA E5 01 00 00 
{85} normal block at 0x000001E5DA9BBB40, 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 0x000001E5DA9B7040, 16 bytes long.
 Data: <&#240; &#156;&#218;&#229;           > F0 12 9C DA E5 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001E5DA9C12F0, 40 bytes long.
 Data: <@p&#155;&#218;&#229;   @&#187;&#155;&#218;&#229;   > 40 70 9B DA E5 01 00 00 40 BB 9B DA E5 01 00 00 
{62} normal block at 0x000001E5DA9B7090, 16 bytes long.
 Data: <&#128;&#234;8&#145;&#246;           > 80 EA 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E5DA9B76D0, 16 bytes long.
 Data: <@&#233;8&#145;&#246;           > 40 E9 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E5DA9B6C30, 16 bytes long.
 Data: <&#248;W5&#145;&#246;           > F8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E5DA9B7270, 16 bytes long.
 Data: <&#216;W5&#145;&#246;           > D8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E5DA9B7810, 16 bytes long.
 Data: <P 5&#145;&#246;           > 50 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E5DA9B6B90, 16 bytes long.
 Data: <0 5&#145;&#246;           > 30 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E5DA9B6FF0, 16 bytes long.
 Data: <&#224; 5&#145;&#246;           > E0 02 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E5DA9B7310, 16 bytes long.
 Data: <  5&#145;&#246;           > 10 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001E5DA9B77C0, 16 bytes long.
 Data: <p 5&#145;&#246;           > 70 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001E5DA9B6FA0, 16 bytes long.
 Data: < &#192;3&#145;&#246;           > 18 C0 33 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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