Task 38685499

Name test_765-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7021_0
Workunit 31626965
Created 27 Oct 2026, 21:24:28 UTC
Sent 27 Oct 2026, 21:24:30 UTC
Report deadline 1 Nov 2026, 21:24:30 UTC
Received 27 Oct 2026, 21:58:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 28 sec
CPU time 30 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.13 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:26:17 (3044): wrapper (7.9.26016): starting
22:26:17 (3044): 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
22:26:19 (3044): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:26:19 (3044): 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
22:58:19 (3044): C:/Windows/system32/cmd.exe exited; CPU time 1849.109375
22:58:19 (3044): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25650127 bytes.
Dumping objects ->
{3835311} normal block at 0x000002470696F240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000002470696F320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x0000024704CF6A60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x0000024704CF6980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000024704CF6910, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x00000247069B6B50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000024704D4F6C0, 141 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) : {3835222} normal block at 0x0000024704CEE5D0, 8 bytes long.
 Data: <  1 G   > 00 00 31 05 47 02 00 00 
{3834575} normal block at 0x0000024704D4FAD0, 141 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 0x0000024704CEE530, 8 bytes long.
 Data: <p\&#164; G   > 70 5C A4 06 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024704CF0320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024704CE6580, 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 0x0000024704CF77D0, 16 bytes long.
 Data: <H&#130;&#207; G           > 48 82 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024704CF7000, 16 bytes long.
 Data: < &#130;&#207; G           > 20 82 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024704CEF850, 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 0x0000024704CF7780, 16 bytes long.
 Data: <&#248; &#207; G           > F8 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024704CF7E10, 16 bytes long.
 Data: <&#208; &#207; G           > D0 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024704CF7B40, 16 bytes long.
 Data: <&#168; &#207; G           > A8 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024704CF75A0, 16 bytes long.
 Data: <  &#207; G           > 80 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024704CF6BB0, 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 0x0000024704CF7AA0, 16 bytes long.
 Data: <&#216; &#206; G           > D8 8D CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024704CEFDF0, 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 0x0000024704CF7730, 16 bytes long.
 Data: <&#176; &#206; G           > B0 8D CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024704CF78C0, 16 bytes long.
 Data: <  &#206; G           > 88 8D CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024704CF7AF0, 16 bytes long.
 Data: <` &#206; G           > 60 8D CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024704CF7CD0, 16 bytes long.
 Data: <8 &#206; G           > 38 8D CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024704CF71E0, 16 bytes long.
 Data: <  &#206; G           > 10 8D CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024704CF7C80, 16 bytes long.
 Data: <&#232;&#140;&#206; G           > E8 8C CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024704CEF550, 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 0x0000024704CF7C30, 16 bytes long.
 Data: <&#192;&#140;&#206; G           > C0 8C CE 04 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024704CE8CC0, 320 bytes long.
 Data: <0|&#207; G   P&#245;&#206; G   > 30 7C CF 04 47 02 00 00 50 F5 CE 04 47 02 00 00 
{274} normal block at 0x0000024704CF76E0, 16 bytes long.
 Data: <` &#207; G           > 60 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024704CF7A00, 16 bytes long.
 Data: <8 &#207; G           > 38 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024704CEF970, 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 0x0000024704CF6FB0, 16 bytes long.
 Data: <  &#207; G           > 10 81 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024704CEF7F0, 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 0x0000024704CF7690, 16 bytes long.
 Data: <X &#207; G           > 58 80 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024704CF7DC0, 16 bytes long.
 Data: <0 &#207; G           > 30 80 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024704CF79B0, 16 bytes long.
 Data: <  &#207; G           > 08 80 CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024704CF7550, 16 bytes long.
 Data: <&#224; &#207; G           > E0 7F CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024704CF7960, 16 bytes long.
 Data: <&#184; &#207; G           > B8 7F CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024704CF7A50, 16 bytes long.
 Data: <  &#207; G           > 90 7F CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024704CF7640, 16 bytes long.
 Data: < l&#207; G           > 20 6C CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024704CF6C20, 40 bytes long.
 Data: <@v&#207; G   Pk&#155; G   > 40 76 CF 04 47 02 00 00 50 6B 9B 06 47 02 00 00 
{260} normal block at 0x0000024704CF75F0, 16 bytes long.
 Data: <p &#207; G           > 70 7F CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024704CF7280, 16 bytes long.
 Data: <H &#207; G           > 48 7F CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024704CF00F0, 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 0x0000024704CF7D70, 16 bytes long.
 Data: <  &#207; G           > 20 7F CF 04 47 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024704CF7F20, 992 bytes long.
 Data: <p}&#207; G   &#240; &#207; G   > 70 7D CF 04 47 02 00 00 F0 00 CF 04 47 02 00 00 
{92} normal block at 0x0000024704CEFAF0, 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 0x0000024704CEEFD0, 16 bytes long.
 Data: <&#240;&#240;&#205; G           > F0 F0 CD 04 47 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024704CDF0F0, 40 bytes long.
 Data: <&#208;&#239;&#206; G   &#240;&#250;&#206; G   > D0 EF CE 04 47 02 00 00 F0 FA CE 04 47 02 00 00 
{69} normal block at 0x0000024704CEE9E0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024704CEE800, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024704CEE3A0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024704CEE940, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024704CEEEE0, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024704CEED00, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024704CEEAD0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024704CEE440, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024704CEF160, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024704CEE8A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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