Task 38671736

Name test_390-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4595_0
Workunit 31613924
Created 25 Oct 2026, 21:25:00 UTC
Sent 25 Oct 2026, 21:25:03 UTC
Report deadline 30 Oct 2026, 21:25:03 UTC
Received 25 Oct 2026, 22:16:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 14 min 28 sec
CPU time 13 min 13 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 759.51 MB
Peak swap size 13.06 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:02:34 (16048): wrapper (7.9.26016): starting
23:02:34 (16048): 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
23:02:35 (16048): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:02:35 (16048): 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
23:16:28 (16048): C:/Windows/system32/cmd.exe exited; CPU time 793.296875
23:16:28 (16048): 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: 12644289 bytes.
Dumping objects ->
{3835610} normal block at 0x000001B53E905330, 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 0x000001B540670100, 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 0x000001B540670700, 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 0x000001B540670940, 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 0x000001B54066FF20, 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 0x000001B53E9051E0, 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 0x000001B54063F9D0, 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 0x000001B53E8FDCC0, 8 bytes long.
 Data: <  &#210;>&#181;   > 00 00 D2 3E B5 01 00 00 
{3834715} normal block at 0x000001B54063F660, 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 0x000001B53E8FE120, 8 bytes long.
 Data: <p&#228; >&#181;   > 70 E4 9D 3E B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B53E9018C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B53E8F6AE0, 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 0x000001B53E9069C0, 16 bytes long.
 Data: < o >&#181;           > 88 6F 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B53E905DE0, 16 bytes long.
 Data: <`o >&#181;           > 60 6F 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B53E8FFC50, 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 0x000001B53E906510, 16 bytes long.
 Data: <8o >&#181;           > 38 6F 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B53E906420, 16 bytes long.
 Data: < o >&#181;           > 10 6F 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B53E906740, 16 bytes long.
 Data: <&#232;n >&#181;           > E8 6E 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B53E906380, 16 bytes long.
 Data: <&#192;n >&#181;           > C0 6E 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B53E905720, 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 0x000001B53E906BF0, 16 bytes long.
 Data: <&#168;&#247;&#142;>&#181;           > A8 F7 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B53E8FF650, 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 0x000001B53E906BA0, 16 bytes long.
 Data: < &#247;&#142;>&#181;           > 80 F7 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B53E906970, 16 bytes long.
 Data: <X&#247;&#142;>&#181;           > 58 F7 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B53E906920, 16 bytes long.
 Data: <0&#247;&#142;>&#181;           > 30 F7 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B53E906880, 16 bytes long.
 Data: < &#247;&#142;>&#181;           > 08 F7 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B53E906240, 16 bytes long.
 Data: <&#224;&#246;&#142;>&#181;           > E0 F6 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B53E906B50, 16 bytes long.
 Data: <&#184;&#246;&#142;>&#181;           > B8 F6 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B53E8FFE90, 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 0x000001B53E906470, 16 bytes long.
 Data: < &#246;&#142;>&#181;           > 90 F6 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B53E8EF690, 320 bytes long.
 Data: <pd >&#181;    &#254; >&#181;   > 70 64 90 3E B5 01 00 00 90 FE 8F 3E B5 01 00 00 
{276} normal block at 0x000001B53E905F70, 16 bytes long.
 Data: <&#160;n >&#181;           > A0 6E 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B53E906830, 16 bytes long.
 Data: <xn >&#181;           > 78 6E 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B53E900250, 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 0x000001B53E906B00, 16 bytes long.
 Data: <Pn >&#181;           > 50 6E 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B53E9000D0, 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 0x000001B53E906150, 16 bytes long.
 Data: < m >&#181;           > 98 6D 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B53E905ED0, 16 bytes long.
 Data: <pm >&#181;           > 70 6D 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B53E9066A0, 16 bytes long.
 Data: <Hm >&#181;           > 48 6D 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B53E9063D0, 16 bytes long.
 Data: < m >&#181;           > 20 6D 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B53E905FC0, 16 bytes long.
 Data: <&#248;l >&#181;           > F8 6C 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B53E906AB0, 16 bytes long.
 Data: <&#208;l >&#181;           > D0 6C 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B53E905E80, 16 bytes long.
 Data: < P >&#181;           > 90 50 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B53E905090, 40 bytes long.
 Data: < ^ >&#181;   &#224;Q >&#181;   > 80 5E 90 3E B5 01 00 00 E0 51 90 3E B5 01 00 00 
{262} normal block at 0x000001B53E906330, 16 bytes long.
 Data: <&#176;l >&#181;           > B0 6C 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B53E905F20, 16 bytes long.
 Data: < l >&#181;           > 88 6C 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B53E900070, 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 0x000001B53E9068D0, 16 bytes long.
 Data: <`l >&#181;           > 60 6C 90 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B53E906C60, 992 bytes long.
 Data: <&#208;h >&#181;   p  >&#181;   > D0 68 90 3E B5 01 00 00 70 00 90 3E B5 01 00 00 
{94} normal block at 0x000001B53E900010, 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 0x000001B53E8FE530, 16 bytes long.
 Data: < &#230;&#142;>&#181;           > 00 E6 8E 3E B5 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B53E8EE600, 40 bytes long.
 Data: <0&#229; >&#181;      >&#181;   > 30 E5 8F 3E B5 01 00 00 10 00 90 3E B5 01 00 00 
{71} normal block at 0x000001B53E8FDA90, 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 0x000001B53E8FD8B0, 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 0x000001B53E8FDE00, 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 0x000001B53E8FD9F0, 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 0x000001B53E8FDB30, 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 0x000001B53E8FE3F0, 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 0x000001B53E8FDAE0, 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 0x000001B53E8FDEF0, 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 0x000001B53E8FE080, 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 0x000001B53E8FDC70, 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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