Task 38684144

Name test_63-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND3110_0
Workunit 31625665
Created 27 Oct 2026, 14:53:42 UTC
Sent 27 Oct 2026, 14:53:46 UTC
Report deadline 1 Nov 2026, 14:53:46 UTC
Received 27 Oct 2026, 19:04:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 36 min 56 sec
CPU time 34 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.29 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
19:28:37 (5680): wrapper (7.9.26016): starting
19:28:37 (5680): 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
19:28:38 (5680): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:28:38 (5680): 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\6\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\6\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
20:03:59 (5680): C:/Windows/system32/cmd.exe exited; CPU time 2087.750000
20:03:59 (5680): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 36247677 bytes.
Dumping objects ->
{3835240} normal block at 0x0000020B8A6A5050, 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 0x0000020B8A6A5670, 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 0x0000020B8A6A5600, 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 0x0000020B8A6A5590, 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 0x0000020B8A6A5520, 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 0x0000020B8C3A8780, 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 0x0000020B8A6FE050, 144 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 0x0000020B8A69EBB0, 8 bytes long.
 Data: <  &#180;&#138;    > 00 00 B4 8A 0B 02 00 00 
{3834552} normal block at 0x0000020B8A6FE530, 144 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 0x0000020B8A69FAB0, 8 bytes long.
 Data: <&#192;&#226;;&#140;    > C0 E2 3B 8C 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020B8A6A1030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020B8A6961E0, 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 0x0000020B8A6A5DB0, 16 bytes long.
 Data: <Hmj&#138;            > 48 6D 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B8A6A5C20, 16 bytes long.
 Data: < mj&#138;            > 20 6D 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020B8A6A0530, 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 0x0000020B8A6A64E0, 16 bytes long.
 Data: <&#248;lj&#138;            > F8 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B8A6A6120, 16 bytes long.
 Data: <&#208;lj&#138;            > D0 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B8A6A5CC0, 16 bytes long.
 Data: <&#168;lj&#138;            > A8 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B8A6A5A90, 16 bytes long.
 Data: < lj&#138;            > 80 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B8A6A5130, 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 0x0000020B8A6A6710, 16 bytes long.
 Data: <H&#180;h&#138;            > 48 B4 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020B8A6A05F0, 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 0x0000020B8A6A6030, 16 bytes long.
 Data: < &#180;h&#138;            > 20 B4 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B8A6A58B0, 16 bytes long.
 Data: <&#248;&#179;h&#138;            > F8 B3 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B8A6A6530, 16 bytes long.
 Data: <&#208;&#179;h&#138;            > D0 B3 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B8A6A60D0, 16 bytes long.
 Data: <&#168;&#179;h&#138;            > A8 B3 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B8A6A61C0, 16 bytes long.
 Data: < &#179;h&#138;            > 80 B3 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B8A6A5B30, 16 bytes long.
 Data: <X&#179;h&#138;            > 58 B3 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B8A69FE70, 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 0x0000020B8A6A5EA0, 16 bytes long.
 Data: <0&#179;h&#138;            > 30 B3 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B8A68B330, 320 bytes long.
 Data: <&#160;^j&#138;    p&#254;i&#138;    > A0 5E 6A 8A 0B 02 00 00 70 FE 69 8A 0B 02 00 00 
{274} normal block at 0x0000020B8A6A5E00, 16 bytes long.
 Data: <`lj&#138;            > 60 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B8A6A6620, 16 bytes long.
 Data: <8lj&#138;            > 38 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B8A6A07D0, 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 0x0000020B8A6A59F0, 16 bytes long.
 Data: < lj&#138;            > 10 6C 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020B8A6A0170, 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 0x0000020B8A6A5FE0, 16 bytes long.
 Data: <Xkj&#138;            > 58 6B 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B8A6A5EF0, 16 bytes long.
 Data: <0kj&#138;            > 30 6B 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B8A6A6490, 16 bytes long.
 Data: < kj&#138;            > 08 6B 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B8A6A6260, 16 bytes long.
 Data: <&#224;jj&#138;            > E0 6A 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B8A6A5F90, 16 bytes long.
 Data: <&#184;jj&#138;            > B8 6A 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B8A6A6670, 16 bytes long.
 Data: < jj&#138;            > 90 6A 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B8A6A65D0, 16 bytes long.
 Data: < Rj&#138;            > 80 52 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B8A6A5280, 40 bytes long.
 Data: <&#208;ej&#138;     &#135;:&#140;    > D0 65 6A 8A 0B 02 00 00 80 87 3A 8C 0B 02 00 00 
{260} normal block at 0x0000020B8A6A6440, 16 bytes long.
 Data: <pjj&#138;            > 70 6A 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B8A6A59A0, 16 bytes long.
 Data: <Hjj&#138;            > 48 6A 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B8A6A0770, 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 0x0000020B8A6A66C0, 16 bytes long.
 Data: < jj&#138;            > 20 6A 6A 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020B8A6A6A20, 992 bytes long.
 Data: <&#192;fj&#138;    p j&#138;    > C0 66 6A 8A 0B 02 00 00 70 07 6A 8A 0B 02 00 00 
{92} normal block at 0x0000020B8A6A0050, 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 0x0000020B8A69ED40, 16 bytes long.
 Data: < &#197;h&#138;            > 90 C5 68 8A 0B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020B8A68C590, 40 bytes long.
 Data: <@&#237;i&#138;    P j&#138;    > 40 ED 69 8A 0B 02 00 00 50 00 6A 8A 0B 02 00 00 
{69} normal block at 0x0000020B8A69F560, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B8A69F4C0, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B8A69F1A0, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B8A69F970, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B8A69F150, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B8A69F290, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B8A69FA60, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B8A69FA10, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B8A69F600, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B8A69F740, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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