Task 38681723

Name test_110-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7511_0
Workunit 31623377
Created 27 Oct 2026, 5:06:14 UTC
Sent 27 Oct 2026, 5:06:19 UTC
Report deadline 1 Nov 2026, 5:06:19 UTC
Received 27 Oct 2026, 7:49:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 7 sec
CPU time 46 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 643.51 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:02:02 (3012): wrapper (7.9.26016): starting
00:02:02 (3012): 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
00:02:04 (3012): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:02:04 (3012): 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 'E:\ProgramData\Boinc\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 'E:\ProgramData\Boinc\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
00:48:24 (3012): C:/Windows/system32/cmd.exe exited; CPU time 2798.140625
00:48:24 (3012): 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: 32343677 bytes.
Dumping objects ->
{3835223} normal block at 0x000001D1A00712B0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001D1A0071390, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001D1A0071550, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001D1A00710F0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001D1A0071400, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001D1A1BA2190, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001D1A1ABE9B0, 160 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 0x000001D1A0066910, 8 bytes long.
 Data: <   &#160;&#209;   > 00 00 03 A0 D1 01 00 00 
{3834539} normal block at 0x000001D1A1ABE010, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001D1A0066820, 8 bytes long.
 Data: < "&#192;&#161;&#209;   > 80 22 C0 A1 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D1A006FFF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D1A0055DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001D1A00718E0, 16 bytes long.
 Data: < ; &#160;&#209;           > 88 3B 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1A0072600, 16 bytes long.
 Data: <`; &#160;&#209;           > 60 3B 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D1A006D430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001D1A0071890, 16 bytes long.
 Data: <8; &#160;&#209;           > 38 3B 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1A0072560, 16 bytes long.
 Data: < ; &#160;&#209;           > 10 3B 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D1A0072100, 16 bytes long.
 Data: <&#232;: &#160;&#209;           > E8 3A 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D1A0071BB0, 16 bytes long.
 Data: <&#192;: &#160;&#209;           > C0 3A 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1A00711D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001D1A0072380, 16 bytes long.
 Data: <H] &#160;&#209;           > 48 5D 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D1A006D1F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001D1A0072290, 16 bytes long.
 Data: < ] &#160;&#209;           > 20 5D 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1A0071C50, 16 bytes long.
 Data: <&#248;\ &#160;&#209;           > F8 5C 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D1A00727E0, 16 bytes long.
 Data: <&#208;\ &#160;&#209;           > D0 5C 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D1A0071DE0, 16 bytes long.
 Data: <&#168;\ &#160;&#209;           > A8 5C 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D1A0071930, 16 bytes long.
 Data: < \ &#160;&#209;           > 80 5C 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D1A0071F70, 16 bytes long.
 Data: <X\ &#160;&#209;           > 58 5C 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D1A006D5B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001D1A0072240, 16 bytes long.
 Data: <0\ &#160;&#209;           > 30 5C 05 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D1A0055C30, 320 bytes long.
 Data: <@" &#160;&#209;   &#176;&#213; &#160;&#209;   > 40 22 07 A0 D1 01 00 00 B0 D5 06 A0 D1 01 00 00 
{272} normal block at 0x000001D1A00719D0, 16 bytes long.
 Data: <&#160;: &#160;&#209;           > A0 3A 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1A0072790, 16 bytes long.
 Data: <x: &#160;&#209;           > 78 3A 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1A006D010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001D1A0071E80, 16 bytes long.
 Data: <P: &#160;&#209;           > 50 3A 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1A006D550, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001D1A0071C00, 16 bytes long.
 Data: < 9 &#160;&#209;           > 98 39 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D1A0071B60, 16 bytes long.
 Data: <p9 &#160;&#209;           > 70 39 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D1A0071B10, 16 bytes long.
 Data: <H9 &#160;&#209;           > 48 39 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D1A00726A0, 16 bytes long.
 Data: < 9 &#160;&#209;           > 20 39 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D1A00720B0, 16 bytes long.
 Data: <&#248;8 &#160;&#209;           > F8 38 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D1A00725B0, 16 bytes long.
 Data: <&#208;8 &#160;&#209;           > D0 38 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D1A00721F0, 16 bytes long.
 Data: <0  &#160;&#209;           > 30 16 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D1A0071630, 40 bytes long.
 Data: <&#240;! &#160;&#209;    !&#186;&#161;&#209;   > F0 21 07 A0 D1 01 00 00 90 21 BA A1 D1 01 00 00 
{258} normal block at 0x000001D1A00724C0, 16 bytes long.
 Data: <&#176;8 &#160;&#209;           > B0 38 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D1A0071F20, 16 bytes long.
 Data: < 8 &#160;&#209;           > 88 38 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D1A006CF50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001D1A0072740, 16 bytes long.
 Data: <`8 &#160;&#209;           > 60 38 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D1A0073860, 992 bytes long.
 Data: <@' &#160;&#209;   P&#207; &#160;&#209;   > 40 27 07 A0 D1 01 00 00 50 CF 06 A0 D1 01 00 00 
{90} normal block at 0x000001D1A006D190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001D1A0066870, 16 bytes long.
 Data: <&#192;  &#160;&#209;           > C0 15 07 A0 D1 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001D1A00715C0, 40 bytes long.
 Data: <ph &#160;&#209;    &#209; &#160;&#209;   > 70 68 06 A0 D1 01 00 00 90 D1 06 A0 D1 01 00 00 
{67} normal block at 0x000001D1A0066B40, 16 bytes long.
 Data: < &#234;&#146; &#247;           > 80 EA 92 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D1A0066F00, 16 bytes long.
 Data: <@&#233;&#146; &#247;           > 40 E9 92 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D1A00667D0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D1A0066730, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D1A0066E10, 16 bytes long.
 Data: <P   &#247;           > 50 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D1A0066690, 16 bytes long.
 Data: <0   &#247;           > 30 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D1A00668C0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D1A0066F50, 16 bytes long.
 Data: <    &#247;           > 10 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D1A00665F0, 16 bytes long.
 Data: <p   &#247;           > 70 04 8F 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D1A0066BE0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 8D 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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