Task 38671548

Name test_181-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2035_0
Workunit 31613747
Created 25 Oct 2026, 20:49:12 UTC
Sent 25 Oct 2026, 20:49:15 UTC
Report deadline 30 Oct 2026, 20:49:15 UTC
Received 25 Oct 2026, 21:47:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 14 min 27 sec
CPU time 13 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.77 MB
Peak swap size 13.04 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:33:34 (22972): wrapper (7.9.26016): starting
22:33:34 (22972): 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
22:33:35 (22972): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:33:35 (22972): 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:\DataBOINC\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 'C:\DataBOINC\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
22:47:26 (22972): C:/Windows/system32/cmd.exe exited; CPU time 795.859375
22:47:26 (22972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 12636043 bytes.
Dumping objects ->
{3835610} normal block at 0x0000022DCDE656E0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x0000022DCFBD1380, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x0000022DCFBD1EC0, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x0000022DCFBD12C0, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x0000022DCFBD17A0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x0000022DCDE65590, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x0000022DCFB9E760, 102 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) : {3835521} normal block at 0x0000022DCDE5D680, 8 bytes long.
 Data: <  '&#206;-   > 00 00 27 CE 2D 02 00 00 
{3834715} normal block at 0x0000022DCFB9EEF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022DCDE5D9F0, 8 bytes long.
 Data: < &#229;&#169;&#207;-   > 00 E5 A9 CF 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022DCDE61820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022DCDE56F50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022DCDE66110, 16 bytes long.
 Data: <Ho&#230;&#205;-           > 48 6F E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022DCDE66390, 16 bytes long.
 Data: < o&#230;&#205;-           > 20 6F E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022DCDE5FCD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000022DCDE66930, 16 bytes long.
 Data: <&#248;n&#230;&#205;-           > F8 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022DCDE66160, 16 bytes long.
 Data: <&#208;n&#230;&#205;-           > D0 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022DCDE66700, 16 bytes long.
 Data: <&#168;n&#230;&#205;-           > A8 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022DCDE662A0, 16 bytes long.
 Data: < n&#230;&#205;-           > 80 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022DCDE652F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000022DCDE65EE0, 16 bytes long.
 Data: <&#216;&#148;&#229;&#205;-           > D8 94 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022DCDE5F7F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022DCDE66480, 16 bytes long.
 Data: <&#176;&#148;&#229;&#205;-           > B0 94 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022DCDE66890, 16 bytes long.
 Data: < &#148;&#229;&#205;-           > 88 94 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022DCDE66750, 16 bytes long.
 Data: <`&#148;&#229;&#205;-           > 60 94 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022DCDE666B0, 16 bytes long.
 Data: <8&#148;&#229;&#205;-           > 38 94 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022DCDE66BB0, 16 bytes long.
 Data: < &#148;&#229;&#205;-           > 10 94 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022DCDE66660, 16 bytes long.
 Data: <&#232;&#147;&#229;&#205;-           > E8 93 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022DCDE5FD90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022DCDE662F0, 16 bytes long.
 Data: <&#192;&#147;&#229;&#205;-           > C0 93 E5 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022DCDE593C0, 320 bytes long.
 Data: <&#240;b&#230;&#205;-    &#253;&#229;&#205;-   > F0 62 E6 CD 2D 02 00 00 90 FD E5 CD 2D 02 00 00 
{276} normal block at 0x0000022DCDE66200, 16 bytes long.
 Data: <`n&#230;&#205;-           > 60 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022DCDE65FD0, 16 bytes long.
 Data: <8n&#230;&#205;-           > 38 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022DCDE5F790, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000022DCDE65E90, 16 bytes long.
 Data: < n&#230;&#205;-           > 10 6E E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022DCDE60150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022DCDE661B0, 16 bytes long.
 Data: <Xm&#230;&#205;-           > 58 6D E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022DCDE669D0, 16 bytes long.
 Data: <0m&#230;&#205;-           > 30 6D E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022DCDE667F0, 16 bytes long.
 Data: < m&#230;&#205;-           > 08 6D E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022DCDE665C0, 16 bytes long.
 Data: <&#224;l&#230;&#205;-           > E0 6C E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022DCDE660C0, 16 bytes long.
 Data: <&#184;l&#230;&#205;-           > B8 6C E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022DCDE66570, 16 bytes long.
 Data: < l&#230;&#205;-           > 90 6C E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022DCDE66840, 16 bytes long.
 Data: < R&#230;&#205;-           > 10 52 E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022DCDE65210, 40 bytes long.
 Data: <@h&#230;&#205;-    U&#230;&#205;-   > 40 68 E6 CD 2D 02 00 00 90 55 E6 CD 2D 02 00 00 
{262} normal block at 0x0000022DCDE66A70, 16 bytes long.
 Data: <pl&#230;&#205;-           > 70 6C E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022DCDE65E40, 16 bytes long.
 Data: <Hl&#230;&#205;-           > 48 6C E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022DCDE603F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022DCDE66520, 16 bytes long.
 Data: < l&#230;&#205;-           > 20 6C E6 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022DCDE66C20, 992 bytes long.
 Data: < e&#230;&#205;-   &#240; &#230;&#205;-   > 20 65 E6 CD 2D 02 00 00 F0 03 E6 CD 2D 02 00 00 
{94} normal block at 0x0000022DCDE5F970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022DCDE5D630, 16 bytes long.
 Data: <&#208;&#246;&#228;&#205;-           > D0 F6 E4 CD 2D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022DCDE4F6D0, 40 bytes long.
 Data: <0&#214;&#229;&#205;-   p&#249;&#229;&#205;-   > 30 D6 E5 CD 2D 02 00 00 70 F9 E5 CD 2D 02 00 00 
{71} normal block at 0x0000022DCDE5E580, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022DCDE5DBD0, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022DCDE5DA90, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022DCDE5E530, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022DCDE5E440, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022DCDE5D8B0, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022DCDE5DA40, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022DCDE5DCC0, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022DCDE5DEF0, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022DCDE5DC20, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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