Task 38667187

Name test_138-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3367_0
Workunit 31609851
Created 25 Oct 2026, 6:42:59 UTC
Sent 25 Oct 2026, 6:44:26 UTC
Report deadline 30 Oct 2026, 6:44:26 UTC
Received 25 Oct 2026, 7:44:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654477
Run time 49 min 31 sec
CPU time 41 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.22 MB
Peak swap size 6.75 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:55:33 (12000): wrapper (7.9.26016): starting
07:55:33 (12000): 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
07:55:35 (12000): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:55:35 (12000): 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\1\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\1\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
08:43:17 (12000): C:/Windows/system32/cmd.exe exited; CPU time 2480.281250
08:43:17 (12000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 65013297 bytes.
Dumping objects ->
{3835270} normal block at 0x0000020644F83E00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000020644F83D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000206432B49E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000206432B4A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000206432B4C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000020644F2A2A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000020644F3EEA0, 102 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) : {3835181} normal block at 0x00000206432AF5F0, 8 bytes long.
 Data: <  #C    > 00 00 23 43 06 02 00 00 
{3834562} normal block at 0x0000020644F3F160, 102 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 0x00000206432AED80, 8 bytes long.
 Data: <&#176;&#227;&#219;D    > B0 E3 DB 44 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000206432B1660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000206432A6900, 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 0x00000206432B5B50, 16 bytes long.
 Data: <&#248;g+C            > F8 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000206432B5790, 16 bytes long.
 Data: <&#208;g+C            > D0 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000206432B02D0, 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 0x00000206432B5AB0, 16 bytes long.
 Data: <&#168;g+C            > A8 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206432B5970, 16 bytes long.
 Data: < g+C            > 80 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000206432B5BA0, 16 bytes long.
 Data: <Xg+C            > 58 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000206432B5740, 16 bytes long.
 Data: <0g+C            > 30 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000206432B4900, 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 0x00000206432B55B0, 16 bytes long.
 Data: < &#231;*C            > 98 E7 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206432AFA30, 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 0x00000206432B63C0, 16 bytes long.
 Data: <p&#231;*C            > 70 E7 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206432B5560, 16 bytes long.
 Data: <H&#231;*C            > 48 E7 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206432B6050, 16 bytes long.
 Data: < &#231;*C            > 20 E7 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206432B5EC0, 16 bytes long.
 Data: <&#248;&#230;*C            > F8 E6 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000206432B61E0, 16 bytes long.
 Data: <&#208;&#230;*C            > D0 E6 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000206432B6460, 16 bytes long.
 Data: <&#168;&#230;*C            > A8 E6 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000206432B0810, 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 0x00000206432B58D0, 16 bytes long.
 Data: < &#230;*C            > 80 E6 2A 43 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000206432AE680, 320 bytes long.
 Data: <&#208;X+C      +C    > D0 58 2B 43 06 02 00 00 10 08 2B 43 06 02 00 00 
{274} normal block at 0x00000206432B5510, 16 bytes long.
 Data: < g+C            > 10 67 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206432B60A0, 16 bytes long.
 Data: <&#232;f+C            > E8 66 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206432B06F0, 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 0x00000206432B56F0, 16 bytes long.
 Data: <&#192;f+C            > C0 66 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206432B03F0, 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 0x00000206432B5DD0, 16 bytes long.
 Data: < f+C            > 08 66 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206432B57E0, 16 bytes long.
 Data: <&#224;e+C            > E0 65 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000206432B5880, 16 bytes long.
 Data: <&#184;e+C            > B8 65 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206432B5600, 16 bytes long.
 Data: < e+C            > 90 65 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206432B5F10, 16 bytes long.
 Data: <he+C            > 68 65 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000206432B6190, 16 bytes long.
 Data: <@e+C            > 40 65 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000206432B5650, 16 bytes long.
 Data: <@N+C            > 40 4E 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000206432B4E40, 40 bytes long.
 Data: <PV+C    &#160;&#162;&#242;D    > 50 56 2B 43 06 02 00 00 A0 A2 F2 44 06 02 00 00 
{260} normal block at 0x00000206432B5FB0, 16 bytes long.
 Data: < e+C            > 20 65 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000206432B5B00, 16 bytes long.
 Data: <&#248;d+C            > F8 64 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000206432B0390, 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 0x00000206432B6370, 16 bytes long.
 Data: <&#208;d+C            > D0 64 2B 43 06 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000206432B64D0, 992 bytes long.
 Data: <pc+C      +C    > 70 63 2B 43 06 02 00 00 90 03 2B 43 06 02 00 00 
{92} normal block at 0x00000206432B0210, 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 0x00000206432AEEC0, 16 bytes long.
 Data: <&#240;&#229;)C            > F0 E5 29 43 06 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002064329E5F0, 40 bytes long.
 Data: <&#192;&#238;*C      +C    > C0 EE 2A 43 06 02 00 00 10 02 2B 43 06 02 00 00 
{69} normal block at 0x00000206432AEAB0, 16 bytes long.
 Data: < &#234;eN&#247;           > 80 EA 65 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000206432AEA60, 16 bytes long.
 Data: <@&#233;eN&#247;           > 40 E9 65 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000206432AEA10, 16 bytes long.
 Data: <&#248;WbN&#247;           > F8 57 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000206432AE9C0, 16 bytes long.
 Data: <&#216;WbN&#247;           > D8 57 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000206432AF870, 16 bytes long.
 Data: <P bN&#247;           > 50 04 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000206432AF910, 16 bytes long.
 Data: <0 bN&#247;           > 30 04 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000206432AF4B0, 16 bytes long.
 Data: <&#224; bN&#247;           > E0 02 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000206432AF320, 16 bytes long.
 Data: <  bN&#247;           > 10 04 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000206432AF640, 16 bytes long.
 Data: <p bN&#247;           > 70 04 62 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000206432AF8C0, 16 bytes long.
 Data: < &#192;`N&#247;           > 18 C0 60 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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