Task 38677671

Name test_402-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7507_0
Workunit 31619533
Created 26 Oct 2026, 15:01:47 UTC
Sent 26 Oct 2026, 15:01:54 UTC
Report deadline 31 Oct 2026, 15:01:54 UTC
Received 26 Oct 2026, 15:20:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 17 min 31 sec
CPU time 15 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.00 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:02:43 (29968): wrapper (7.9.26016): starting
16:02:43 (29968): 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
16:02:44 (29968): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:02:44 (29968): 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\10\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\10\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
16:19:34 (29968): C:/Windows/system32/cmd.exe exited; CPU time 944.781250
16:19:34 (29968): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 18430045 bytes.
Dumping objects ->
{3835223} normal block at 0x000001B9F8B03F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001B9F8B03EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001B9F8B04580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001B9F8B04510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001B9F8B04200, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001B9FA8C5AA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001B9FA8DC9C0, 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) : {3835134} normal block at 0x000001B9F8AFCAC0, 8 bytes long.
 Data: <  &#239;&#248;&#185;   > 00 00 EF F8 B9 01 00 00 
{3834541} normal block at 0x000001B9FA8DD2B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001B9F8AFC9D0, 8 bytes long.
 Data: <&#192;&#223;&#174;&#248;&#185;   > C0 DF AE F8 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B9F8AFF2B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B9F8AF5F80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001B9F8B02AC0, 16 bytes long.
 Data: <&#168;=&#176;&#248;&#185;           > A8 3D B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B9F8B03600, 16 bytes long.
 Data: < =&#176;&#248;&#185;           > 80 3D B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B9F8AFDE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001B9F8B02ED0, 16 bytes long.
 Data: <X=&#176;&#248;&#185;           > 58 3D B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B9F8B032E0, 16 bytes long.
 Data: <0=&#176;&#248;&#185;           > 30 3D B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B9F8B03240, 16 bytes long.
 Data: < =&#176;&#248;&#185;           > 08 3D B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B9F8B03790, 16 bytes long.
 Data: <&#224;<&#176;&#248;&#185;           > E0 3C B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B9F8B042E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001B9F8B02C50, 16 bytes long.
 Data: <&#248;&#199;&#175;&#248;&#185;           > F8 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B9F8AFE700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001B9F8B036A0, 16 bytes long.
 Data: <&#208;&#199;&#175;&#248;&#185;           > D0 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B9F8B03330, 16 bytes long.
 Data: <&#168;&#199;&#175;&#248;&#185;           > A8 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B9F8B02C00, 16 bytes long.
 Data: < &#199;&#175;&#248;&#185;           > 80 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B9F8B031A0, 16 bytes long.
 Data: <X&#199;&#175;&#248;&#185;           > 58 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9F8B039C0, 16 bytes long.
 Data: <0&#199;&#175;&#248;&#185;           > 30 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B9F8B03100, 16 bytes long.
 Data: < &#199;&#175;&#248;&#185;           > 08 C7 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B9F8AFE100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001B9F8B03470, 16 bytes long.
 Data: <&#224;&#198;&#175;&#248;&#185;           > E0 C6 AF F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B9F8AFC6E0, 320 bytes long.
 Data: <p4&#176;&#248;&#185;    &#225;&#175;&#248;&#185;   > 70 34 B0 F8 B9 01 00 00 00 E1 AF F8 B9 01 00 00 
{275} normal block at 0x000001B9F8B02CA0, 16 bytes long.
 Data: <&#192;<&#176;&#248;&#185;           > C0 3C B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9F8B038D0, 16 bytes long.
 Data: < <&#176;&#248;&#185;           > 98 3C B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B9F8AFDC20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001B9F8B02FC0, 16 bytes long.
 Data: <p<&#176;&#248;&#185;           > 70 3C B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B9F8AFE340, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001B9F8B03290, 16 bytes long.
 Data: <&#184;;&#176;&#248;&#185;           > B8 3B B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B9F8B03880, 16 bytes long.
 Data: < ;&#176;&#248;&#185;           > 90 3B B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B9F8B02B60, 16 bytes long.
 Data: <h;&#176;&#248;&#185;           > 68 3B B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B9F8B03970, 16 bytes long.
 Data: <@;&#176;&#248;&#185;           > 40 3B B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9F8B03420, 16 bytes long.
 Data: < ;&#176;&#248;&#185;           > 18 3B B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B9F8B03920, 16 bytes long.
 Data: <&#240;:&#176;&#248;&#185;           > F0 3A B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B9F8B030B0, 16 bytes long.
 Data: <`&#228;&#174;&#248;&#185;           > 60 E4 AE F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B9F8AEE460, 40 bytes long.
 Data: <&#176;0&#176;&#248;&#185;   &#160;Z&#140;&#250;&#185;   > B0 30 B0 F8 B9 01 00 00 A0 5A 8C FA B9 01 00 00 
{261} normal block at 0x000001B9F8B03830, 16 bytes long.
 Data: <&#208;:&#176;&#248;&#185;           > D0 3A B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B9F8B031F0, 16 bytes long.
 Data: <&#168;:&#176;&#248;&#185;           > A8 3A B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B9F8AFDB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001B9F8B02E30, 16 bytes long.
 Data: < :&#176;&#248;&#185;           > 80 3A B0 F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B9F8B03A80, 992 bytes long.
 Data: <0.&#176;&#248;&#185;   `&#219;&#175;&#248;&#185;   > 30 2E B0 F8 B9 01 00 00 60 DB AF F8 B9 01 00 00 
{93} normal block at 0x000001B9F8AFE460, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001B9F8AFD6F0, 16 bytes long.
 Data: <&#192; &#174;&#248;&#185;           > C0 8D AE F8 B9 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001B9F8AE8DC0, 40 bytes long.
 Data: <&#240;&#214;&#175;&#248;&#185;   `&#228;&#175;&#248;&#185;   > F0 D6 AF F8 B9 01 00 00 60 E4 AF F8 B9 01 00 00 
{70} normal block at 0x000001B9F8AFD600, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B9F8AFD8D0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B9F8AFCE30, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B9F8AFCDE0, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B9F8AFD290, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B9F8AFD7E0, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B9F8AFCCA0, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B9F8AFD830, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B9F8AFD420, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B9F8AFD240, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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