Task 38699808

Name test_952-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9626_1
Workunit 31640165
Created 5 Nov 2026, 14:41:33 UTC
Sent 5 Nov 2026, 14:41:35 UTC
Report deadline 10 Nov 2026, 14:41:35 UTC
Received 5 Nov 2026, 16:11:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 37 min 57 sec
CPU time 37 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.97 MB
Peak swap size 13.16 GB
Peak disk usage 3.59 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:31:40 (32692): wrapper (7.9.26016): starting
07:31:40 (32692): 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
07:31:44 (32692): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:31:44 (32692): 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\28\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\28\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
08:10:19 (32692): C:/Windows/system32/cmd.exe exited; CPU time 2277.328125
08:10:19 (32692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 40850697 bytes.
Dumping objects ->
{3835240} normal block at 0x000001E8184F4BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001E8184F4C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001E8184F4C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000001E8184F4B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001E8184F4DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001E81A218080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001E81A140730, 155 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) : {3835151} normal block at 0x000001E8184EEA20, 8 bytes long.
 Data: <  J &#232;   > 00 00 4A 18 E8 01 00 00 
{3834548} normal block at 0x000001E81A1408F0, 155 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 0x000001E8184EECA0, 8 bytes long.
 Data: <&#176;&#227;  &#232;   > B0 E3 12 1A E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E8184F0B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E8184E6040, 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 0x000001E8184F59A0, 16 bytes long.
 Data: <&#184;iO &#232;           > B8 69 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E8184F5810, 16 bytes long.
 Data: < iO &#232;           > 90 69 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E8184F0460, 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 0x000001E8184F64E0, 16 bytes long.
 Data: <hiO &#232;           > 68 69 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E8184F5F40, 16 bytes long.
 Data: <@iO &#232;           > 40 69 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E8184F57C0, 16 bytes long.
 Data: < iO &#232;           > 18 69 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E8184F61C0, 16 bytes long.
 Data: <&#240;hO &#232;           > F0 68 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E8184F4980, 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 0x000001E8184F6120, 16 bytes long.
 Data: <&#248;&#181;M &#232;           > F8 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E8184F0400, 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 0x000001E8184F6440, 16 bytes long.
 Data: <&#208;&#181;M &#232;           > D0 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E8184F6580, 16 bytes long.
 Data: <&#168;&#181;M &#232;           > A8 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E8184F5770, 16 bytes long.
 Data: < &#181;M &#232;           > 80 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E8184F5AE0, 16 bytes long.
 Data: <X&#181;M &#232;           > 58 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E8184F6030, 16 bytes long.
 Data: <0&#181;M &#232;           > 30 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E8184F58B0, 16 bytes long.
 Data: < &#181;M &#232;           > 08 B5 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E8184F06A0, 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 0x000001E8184F59F0, 16 bytes long.
 Data: <&#224;&#180;M &#232;           > E0 B4 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E8184DB4E0, 320 bytes long.
 Data: <&#240;YO &#232;   &#160; O &#232;   > F0 59 4F 18 E8 01 00 00 A0 06 4F 18 E8 01 00 00 
{274} normal block at 0x000001E8184F6300, 16 bytes long.
 Data: <&#208;hO &#232;           > D0 68 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E8184F6620, 16 bytes long.
 Data: <&#168;hO &#232;           > A8 68 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E8184F0340, 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 0x000001E8184F5860, 16 bytes long.
 Data: < hO &#232;           > 80 68 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E8184EFB00, 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 0x000001E8184F5900, 16 bytes long.
 Data: <&#200;gO &#232;           > C8 67 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E8184F56D0, 16 bytes long.
 Data: <&#160;gO &#232;           > A0 67 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E8184F63F0, 16 bytes long.
 Data: <xgO &#232;           > 78 67 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E8184F5720, 16 bytes long.
 Data: <PgO &#232;           > 50 67 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E8184F6080, 16 bytes long.
 Data: <(gO &#232;           > 28 67 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E8184F63A0, 16 bytes long.
 Data: < gO &#232;           > 00 67 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E8184F5D10, 16 bytes long.
 Data: < IO &#232;           > 10 49 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E8184F4910, 40 bytes long.
 Data: < ]O &#232;     ! &#232;   > 10 5D 4F 18 E8 01 00 00 80 80 21 1A E8 01 00 00 
{260} normal block at 0x000001E8184F5E50, 16 bytes long.
 Data: <&#224;fO &#232;           > E0 66 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E8184F5D60, 16 bytes long.
 Data: <&#184;fO &#232;           > B8 66 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E8184F0220, 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 0x000001E8184F5C20, 16 bytes long.
 Data: < fO &#232;           > 90 66 4F 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E8184F6690, 992 bytes long.
 Data: < \O &#232;     O &#232;   > 20 5C 4F 18 E8 01 00 00 20 02 4F 18 E8 01 00 00 
{92} normal block at 0x000001E8184F05E0, 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 0x000001E8184EEA70, 16 bytes long.
 Data: <&#192;&#199;M &#232;           > C0 C7 4D 18 E8 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E8184DC7C0, 40 bytes long.
 Data: <p&#234;N &#232;   &#224; O &#232;   > 70 EA 4E 18 E8 01 00 00 E0 05 4F 18 E8 01 00 00 
{69} normal block at 0x000001E8184EED40, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E8184EF8D0, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E8184EF510, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E8184EF060, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E8184EEC50, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E8184EF470, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E8184EEAC0, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E8184EF1F0, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E8184EF420, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E8184EEC00, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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