Task 38659025

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND9650_0
Workunit 31602581
Created 24 Oct 2026, 13:13:44 UTC
Sent 24 Oct 2026, 13:21:22 UTC
Report deadline 29 Oct 2026, 13:21:22 UTC
Received 24 Oct 2026, 15:50:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652152
Run time 1 hours 2 min 35 sec
CPU time 56 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,462.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.26 MB
Peak swap size 5.26 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:49:41 (14292): wrapper (7.9.26016): starting
10:49:41 (14292): 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
10:49:43 (14292): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:49:43 (14292): 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\12\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\12\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
11:49:49 (14292): C:/Windows/system32/cmd.exe exited; CPU time 3376.109375
11:49:49 (14292): 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: 57524317 bytes.
Dumping objects ->
{3835310} normal block at 0x00000234DCF81E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x00000234DCF81C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x00000234DCF81110, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835277} normal block at 0x00000234DCF81880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000234DCF81A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835235} normal block at 0x00000234DD0779C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000234DD090F30, 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) : {3835221} normal block at 0x00000234DB4E89F0, 8 bytes long.
 Data: <   &#221;4   > 00 00 19 DD 34 02 00 00 
{3834583} normal block at 0x00000234DD090BC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000234DB4E89A0, 8 bytes long.
 Data: <&#224;&#188; &#221;4   > E0 BC 08 DD 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000234DB4F40C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000234DB4DBC70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000234DB4F57E0, 16 bytes long.
 Data: <(&#253;N&#219;4           > 28 FD 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000234DB4F5740, 16 bytes long.
 Data: < &#253;N&#219;4           > 00 FD 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000234DB4F04D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000234DB4F55B0, 16 bytes long.
 Data: <&#216;&#252;N&#219;4           > D8 FC 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000234DB4F5560, 16 bytes long.
 Data: <&#176;&#252;N&#219;4           > B0 FC 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000234DB4F5510, 16 bytes long.
 Data: < &#252;N&#219;4           > 88 FC 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000234DB4F5D80, 16 bytes long.
 Data: <`&#252;N&#219;4           > 60 FC 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000234DB4EE230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000234DB4F5A60, 16 bytes long.
 Data: <&#232;&#208;M&#219;4           > E8 D0 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000234DB4F0710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000234DB4F54C0, 16 bytes long.
 Data: <&#192;&#208;M&#219;4           > C0 D0 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000234DB4F5790, 16 bytes long.
 Data: < &#208;M&#219;4           > 98 D0 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000234DB4F51F0, 16 bytes long.
 Data: <p&#208;M&#219;4           > 70 D0 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000234DB4F5150, 16 bytes long.
 Data: <H&#208;M&#219;4           > 48 D0 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234DB4F56A0, 16 bytes long.
 Data: < &#208;M&#219;4           > 20 D0 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000234DB4F5600, 16 bytes long.
 Data: <&#248;&#207;M&#219;4           > F8 CF 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000234DB4F08F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000234DB4F5F10, 16 bytes long.
 Data: <&#208;&#207;M&#219;4           > D0 CF 4D DB 34 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000234DB4DCFD0, 320 bytes long.
 Data: < _O&#219;4   &#240; O&#219;4   > 10 5F 4F DB 34 02 00 00 F0 08 4F DB 34 02 00 00 
{277} normal block at 0x00000234DB4F59C0, 16 bytes long.
 Data: <@&#252;N&#219;4           > 40 FC 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000234DB4F50B0, 16 bytes long.
 Data: < &#252;N&#219;4           > 18 FC 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000234DB4F0890, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000234DB4F51A0, 16 bytes long.
 Data: <&#240;&#251;N&#219;4           > F0 FB 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000234DB4F0D10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000234DB4F5BA0, 16 bytes long.
 Data: <8&#251;N&#219;4           > 38 FB 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000234DB4F5CE0, 16 bytes long.
 Data: < &#251;N&#219;4           > 10 FB 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000234DB4F5470, 16 bytes long.
 Data: <&#232;&#250;N&#219;4           > E8 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000234DB4F5AB0, 16 bytes long.
 Data: <&#192;&#250;N&#219;4           > C0 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000234DB4F5330, 16 bytes long.
 Data: < &#250;N&#219;4           > 98 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000234DB4F5B00, 16 bytes long.
 Data: <p&#250;N&#219;4           > 70 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000234DB4F5060, 16 bytes long.
 Data: <`&#221;N&#219;4           > 60 DD 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000234DB4EDD60, 40 bytes long.
 Data: <`PO&#219;4   &#192;y &#221;4   > 60 50 4F DB 34 02 00 00 C0 79 07 DD 34 02 00 00 
{263} normal block at 0x00000234DB4F5420, 16 bytes long.
 Data: <P&#250;N&#219;4           > 50 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000234DB4F5A10, 16 bytes long.
 Data: <(&#250;N&#219;4           > 28 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000234DB4F06B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000234DB4F5100, 16 bytes long.
 Data: < &#250;N&#219;4           > 00 FA 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000234DB4EFA00, 992 bytes long.
 Data: < QO&#219;4   &#176; O&#219;4   > 00 51 4F DB 34 02 00 00 B0 06 4F DB 34 02 00 00 
{95} normal block at 0x00000234DB4F0D70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000234DB4E9440, 16 bytes long.
 Data: <&#176;&#222;N&#219;4           > B0 DE 4E DB 34 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000234DB4EDEB0, 40 bytes long.
 Data: <@&#148;N&#219;4   p O&#219;4   > 40 94 4E DB 34 02 00 00 70 0D 4F DB 34 02 00 00 
{72} normal block at 0x00000234DB4E8680, 16 bytes long.
 Data: < &#234;=&#241;&#246;           > 80 EA 3D F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000234DB4E8EF0, 16 bytes long.
 Data: <@&#233;=&#241;&#246;           > 40 E9 3D F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000234DB4E8E00, 16 bytes long.
 Data: <&#248;W:&#241;&#246;           > F8 57 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000234DB4E8F90, 16 bytes long.
 Data: <&#216;W:&#241;&#246;           > D8 57 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000234DB4E8D10, 16 bytes long.
 Data: <P :&#241;&#246;           > 50 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000234DB4E8C20, 16 bytes long.
 Data: <0 :&#241;&#246;           > 30 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000234DB4E8CC0, 16 bytes long.
 Data: <&#224; :&#241;&#246;           > E0 02 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000234DB4E8BD0, 16 bytes long.
 Data: <  :&#241;&#246;           > 10 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000234DB4E91C0, 16 bytes long.
 Data: <p :&#241;&#246;           > 70 04 3A F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000234DB4E8810, 16 bytes long.
 Data: < &#192;8&#241;&#246;           > 18 C0 38 F1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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