Task 38697185

Name test_471-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9150_0
Workunit 31637772
Created 1 Nov 2026, 10:19:54 UTC
Sent 1 Nov 2026, 10:19:55 UTC
Report deadline 6 Nov 2026, 10:19:55 UTC
Received 1 Nov 2026, 10:46:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654990
Run time 23 min 19 sec
CPU time 21 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,121.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.19 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:23:02 (14732): wrapper (7.9.26016): starting
11:23:02 (14732): 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
11:23:03 (14732): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:23:03 (14732): 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\3\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\3\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
11:45:43 (14732): C:/Windows/system32/cmd.exe exited; CPU time 1317.062500
11:45:43 (14732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20048411 bytes.
Dumping objects ->
{3835557} normal block at 0x000002AD083E3A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835546} normal block at 0x000002AD083E35A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002AD06784590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835524} normal block at 0x000002AD06784C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835513} normal block at 0x000002AD067847C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835482} normal block at 0x000002AD08356D10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835471} normal block at 0x000002AD067DDAD0, 140 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) : {3835468} normal block at 0x000002AD0677F190, 8 bytes long.
 Data: <  n &#173;   > 00 00 6E 06 AD 02 00 00 
{3834689} normal block at 0x000002AD067DDE10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002AD0677EBA0, 8 bytes long.
 Data: < &#177;z &#173;   > 20 B1 7A 06 AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002AD06780A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AD06776510, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002AD06785A40, 16 bytes long.
 Data: <(Vx &#173;           > 28 56 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AD06786030, 16 bytes long.
 Data: < Vx &#173;           > 00 56 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AD0677FAE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002AD067859A0, 16 bytes long.
 Data: <&#216;Ux &#173;           > D8 55 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AD06785B80, 16 bytes long.
 Data: <&#176;Ux &#173;           > B0 55 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AD067863F0, 16 bytes long.
 Data: < Ux &#173;           > 88 55 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AD067864E0, 16 bytes long.
 Data: <`Ux &#173;           > 60 55 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AD067848A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002AD06786620, 16 bytes long.
 Data: <&#168;&#143;w &#173;           > A8 8F 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AD0677FF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002AD06786580, 16 bytes long.
 Data: < &#143;w &#173;           > 80 8F 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AD06785CC0, 16 bytes long.
 Data: <X&#143;w &#173;           > 58 8F 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AD067859F0, 16 bytes long.
 Data: <0&#143;w &#173;           > 30 8F 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AD06785770, 16 bytes long.
 Data: < &#143;w &#173;           > 08 8F 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AD06786260, 16 bytes long.
 Data: <&#224;&#142;w &#173;           > E0 8E 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AD06785B30, 16 bytes long.
 Data: <&#184;&#142;w &#173;           > B8 8E 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AD0677FA80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002AD06785EF0, 16 bytes long.
 Data: < &#142;w &#173;           > 90 8E 77 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AD06778E90, 320 bytes long.
 Data: <&#240;^x &#173;    &#250;w &#173;   > F0 5E 78 06 AD 02 00 00 80 FA 77 06 AD 02 00 00 
{274} normal block at 0x000002AD067865D0, 16 bytes long.
 Data: <@Ux &#173;           > 40 55 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AD06785900, 16 bytes long.
 Data: < Ux &#173;           > 18 55 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AD0677FEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002AD06785E00, 16 bytes long.
 Data: <&#240;Tx &#173;           > F0 54 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AD0677FE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002AD06785EA0, 16 bytes long.
 Data: <8Tx &#173;           > 38 54 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AD067863A0, 16 bytes long.
 Data: < Tx &#173;           > 10 54 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AD06785AE0, 16 bytes long.
 Data: <&#232;Sx &#173;           > E8 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AD06786170, 16 bytes long.
 Data: <&#192;Sx &#173;           > C0 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AD06785FE0, 16 bytes long.
 Data: < Sx &#173;           > 98 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AD0677EC40, 16 bytes long.
 Data: <pSx &#173;           > 70 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AD0677EE20, 16 bytes long.
 Data: < Ix &#173;           > 10 49 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AD06784910, 40 bytes long.
 Data: < &#238;w &#173;    m5 &#173;   > 20 EE 77 06 AD 02 00 00 10 6D 35 08 AD 02 00 00 
{260} normal block at 0x000002AD0677EBF0, 16 bytes long.
 Data: <PSx &#173;           > 50 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AD0677EB50, 16 bytes long.
 Data: <(Sx &#173;           > 28 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AD0677F6C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002AD0677F140, 16 bytes long.
 Data: < Sx &#173;           > 00 53 78 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002AD06785300, 992 bytes long.
 Data: <@&#241;w &#173;   &#192;&#246;w &#173;   > 40 F1 77 06 AD 02 00 00 C0 F6 77 06 AD 02 00 00 
{92} normal block at 0x000002AD0677FC60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002AD0677F460, 16 bytes long.
 Data: <@&#199;v &#173;           > 40 C7 76 06 AD 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002AD0676C740, 40 bytes long.
 Data: <`&#244;w &#173;   `&#252;w &#173;   > 60 F4 77 06 AD 02 00 00 60 FC 77 06 AD 02 00 00 
{69} normal block at 0x000002AD0677E740, 16 bytes long.
 Data: < &#234;&#156;&#243;&#247;           > 80 EA 9C F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AD0677E6F0, 16 bytes long.
 Data: <@&#233;&#156;&#243;&#247;           > 40 E9 9C F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AD0677E650, 16 bytes long.
 Data: <&#248;W &#243;&#247;           > F8 57 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AD0677F550, 16 bytes long.
 Data: <&#216;W &#243;&#247;           > D8 57 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AD0677F5A0, 16 bytes long.
 Data: <P  &#243;&#247;           > 50 04 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AD0677E920, 16 bytes long.
 Data: <0  &#243;&#247;           > 30 04 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AD0677ECE0, 16 bytes long.
 Data: <&#224;  &#243;&#247;           > E0 02 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AD0677E7E0, 16 bytes long.
 Data: <   &#243;&#247;           > 10 04 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002AD0677F370, 16 bytes long.
 Data: <p  &#243;&#247;           > 70 04 99 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002AD0677F0A0, 16 bytes long.
 Data: < &#192;&#151;&#243;&#247;           > 18 C0 97 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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