Task 38673773

Name test_553-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0583_0
Workunit 31615836
Created 26 Oct 2026, 3:22:29 UTC
Sent 26 Oct 2026, 3:22:33 UTC
Report deadline 31 Oct 2026, 3:22:33 UTC
Received 26 Oct 2026, 3:54:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 31 min 5 sec
CPU time 27 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.87 MB
Peak swap size 5.41 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:24:32 (30264): wrapper (7.9.26016): starting
12:24:32 (30264): 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
12:24:34 (30264): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:24:34 (30264): 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 'E:\BoincData\slots\11\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 'E:\BoincData\slots\11\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
12:54:15 (30264): C:/Windows/system32/cmd.exe exited; CPU time 1645.812500
12:54:15 (30264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 38721257 bytes.
Dumping objects ->
{3835399} normal block at 0x0000014B409A6690, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x0000014B42A41820, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x0000014B42A428A0, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x0000014B42A42720, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x0000014B42A413A0, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x0000014B409A6B60, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x0000014B42A10CC0, 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) : {3835310} normal block at 0x0000014B4099EA10, 8 bytes long.
 Data: <   @K   > 00 00 97 40 4B 01 00 00 
{3834688} normal block at 0x0000014B42A10950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x0000014B4099E880, 8 bytes long.
 Data: <   @K   > A0 E5 98 40 4B 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000014B409A2DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000014B40996EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000014B409A7320, 16 bytes long.
 Data: <   @K           > 18 85 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014B409A80E0, 16 bytes long.
 Data: <   @K           > F0 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000014B409A1B70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000014B409A72D0, 16 bytes long.
 Data: <&#200;  @K           > C8 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014B409A7500, 16 bytes long.
 Data: <   @K           > A0 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014B409A7C80, 16 bytes long.
 Data: <x  @K           > 78 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014B409A8090, 16 bytes long.
 Data: <P  @K           > 50 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014B409A69A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000014B409A7780, 16 bytes long.
 Data: <X&#195; @K           > 58 C3 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014B409A2170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000014B409A7F00, 16 bytes long.
 Data: <0&#195; @K           > 30 C3 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014B409A7A50, 16 bytes long.
 Data: < &#195; @K           > 08 C3 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014B409A7B90, 16 bytes long.
 Data: < &#194; @K           > E0 C2 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014B409A7280, 16 bytes long.
 Data: <&#184;&#194; @K           > B8 C2 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014B409A7820, 16 bytes long.
 Data: < &#194; @K           > 90 C2 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014B409A7550, 16 bytes long.
 Data: <h&#194; @K           > 68 C2 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014B409A1F30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000014B409A7230, 16 bytes long.
 Data: <@&#194; @K           > 40 C2 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014B4098C240, 320 bytes long.
 Data: <0r @K   0  @K   > 30 72 9A 40 4B 01 00 00 30 1F 9A 40 4B 01 00 00 
{281} normal block at 0x0000014B409A8130, 16 bytes long.
 Data: <0  @K           > 30 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014B409A78C0, 16 bytes long.
 Data: <   @K           > 08 84 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014B409A1ED0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000014B409A8180, 16 bytes long.
 Data: <   @K           > E0 83 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014B409A1CF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000014B409A7E60, 16 bytes long.
 Data: <(  @K           > 28 83 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014B409A7E10, 16 bytes long.
 Data: <   @K           > 00 83 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014B409A7DC0, 16 bytes long.
 Data: <&#216;  @K           > D8 82 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014B409A8040, 16 bytes long.
 Data: <&#176;  @K           > B0 82 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014B409A7EB0, 16 bytes long.
 Data: <   @K           > 88 82 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014B409A7FF0, 16 bytes long.
 Data: <`  @K           > 60 82 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014B409A7D70, 16 bytes long.
 Data: <&#192;h @K           > C0 68 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014B409A68C0, 40 bytes long.
 Data: <p} @K   `k @K   > 70 7D 9A 40 4B 01 00 00 60 6B 9A 40 4B 01 00 00 
{267} normal block at 0x0000014B409A7CD0, 16 bytes long.
 Data: <@  @K           > 40 82 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014B409A76E0, 16 bytes long.
 Data: <   @K           > 18 82 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014B409A13F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000014B409A7BE0, 16 bytes long.
 Data: <   @K           > F0 81 9A 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014B409A81F0, 992 bytes long.
 Data: < { @K      @K   > E0 7B 9A 40 4B 01 00 00 F0 13 9A 40 4B 01 00 00 
{99} normal block at 0x0000014B409A1D50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000014B4099F3C0, 16 bytes long.
 Data: <   @K           > 80 9B 98 40 4B 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000014B40989B80, 40 bytes long.
 Data: <&#192;  @K   P  @K   > C0 F3 99 40 4B 01 00 00 50 1D 9A 40 4B 01 00 00 
{74} normal block at 0x0000014B4099F0A0, 16 bytes long.
 Data: <  2@            > 80 EA 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000014B4099ED30, 16 bytes long.
 Data: <@ 2@            > 40 E9 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000014B4099E830, 16 bytes long.
 Data: < W/@            > F8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000014B4099E970, 16 bytes long.
 Data: <&#216;W/@            > D8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014B4099F140, 16 bytes long.
 Data: <P /@            > 50 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014B4099EF60, 16 bytes long.
 Data: <0 /@            > 30 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014B4099EEC0, 16 bytes long.
 Data: <  /@            > E0 02 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014B4099F000, 16 bytes long.
 Data: <  /@            > 10 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014B4099EBA0, 16 bytes long.
 Data: <p /@            > 70 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014B4099EFB0, 16 bytes long.
 Data: < &#192;-@            > 18 C0 2D 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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