Task 38682169

Name test_775-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7476_0
Workunit 31623799
Created 27 Oct 2026, 6:47:59 UTC
Sent 27 Oct 2026, 6:48:04 UTC
Report deadline 1 Nov 2026, 6:48:04 UTC
Received 27 Oct 2026, 7:39:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 50 min 17 sec
CPU time 43 min 24 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 720.39 MB
Peak swap size 5.41 GB
Peak disk usage 3.64 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:50:18 (33980): wrapper (7.9.26016): starting
15:50:18 (33980): 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
15:50:20 (33980): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:50:20 (33980): 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\12\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\12\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
16:38:38 (33980): C:/Windows/system32/cmd.exe exited; CPU time 2604.781250
16:38:38 (33980): 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: 64517831 bytes.
Dumping objects ->
{3835399} normal block at 0x000001FA6DE46BB0, 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 0x000001FA6FE31650, 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 0x000001FA6FE32430, 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 0x000001FA6FE31950, 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 0x000001FA6FE323D0, 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 0x000001FA6DE46AD0, 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 0x000001FA6FE00660, 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 0x000001FA6DE3EE20, 8 bytes long.
 Data: <   m    > 00 00 E1 6D FA 01 00 00 
{3834688} normal block at 0x000001FA6FE002F0, 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 0x000001FA6DE3F2D0, 8 bytes long.
 Data: <   m    > 90 E5 E2 6D FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FA6DE3F8E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FA6DE37A50, 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 0x000001FA6DE476B0, 16 bytes long.
 Data: <&#216;  m            > D8 85 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FA6DE474D0, 16 bytes long.
 Data: <&#176;  m            > B0 85 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FA6DE42920, 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 0x000001FA6DE47CF0, 16 bytes long.
 Data: <   m            > 88 85 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FA6DE47B60, 16 bytes long.
 Data: <`  m            > 60 85 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FA6DE47B10, 16 bytes long.
 Data: <8  m            > 38 85 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FA6DE47DE0, 16 bytes long.
 Data: <   m            > 10 85 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FA6DE46DE0, 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 0x000001FA6DE480B0, 16 bytes long.
 Data: <H&#195; m            > 48 C3 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FA6DE420E0, 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 0x000001FA6DE47430, 16 bytes long.
 Data: < &#195; m            > 20 C3 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FA6DE47E80, 16 bytes long.
 Data: < &#194; m            > F8 C2 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FA6DE47390, 16 bytes long.
 Data: <&#208;&#194; m            > D0 C2 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA6DE48060, 16 bytes long.
 Data: <&#168;&#194; m            > A8 C2 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FA6DE47BB0, 16 bytes long.
 Data: < &#194; m            > 80 C2 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FA6DE47FC0, 16 bytes long.
 Data: <X&#194; m            > 58 C2 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FA6DE42620, 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 0x000001FA6DE47AC0, 16 bytes long.
 Data: <0&#194; m            > 30 C2 E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FA6DE2C230, 320 bytes long.
 Data: <&#192;z m     & m    > C0 7A E4 6D FA 01 00 00 20 26 E4 6D FA 01 00 00 
{281} normal block at 0x000001FA6DE48240, 16 bytes long.
 Data: <   m            > F0 84 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA6DE47CA0, 16 bytes long.
 Data: <&#200;  m            > C8 84 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FA6DE42500, 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 0x000001FA6DE47F20, 16 bytes long.
 Data: <   m            > A0 84 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA6DE424A0, 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 0x000001FA6DE477F0, 16 bytes long.
 Data: <   m            > E8 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA6DE47980, 16 bytes long.
 Data: <&#192;  m            > C0 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FA6DE477A0, 16 bytes long.
 Data: <   m            > 98 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FA6DE473E0, 16 bytes long.
 Data: <p  m            > 70 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FA6DE48150, 16 bytes long.
 Data: <H  m            > 48 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FA6DE472F0, 16 bytes long.
 Data: <   m            > 20 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FA6DE47930, 16 bytes long.
 Data: < f m            > E0 66 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA6DE466E0, 40 bytes long.
 Data: <0y m    &#208;j m    > 30 79 E4 6D FA 01 00 00 D0 6A E4 6D FA 01 00 00 
{267} normal block at 0x000001FA6DE48010, 16 bytes long.
 Data: <   m            > 00 83 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FA6DE47570, 16 bytes long.
 Data: <&#216;  m            > D8 82 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FA6DE425C0, 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 0x000001FA6DE47480, 16 bytes long.
 Data: <&#176;  m            > B0 82 E4 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA6DE482B0, 992 bytes long.
 Data: < t m    &#192;% m    > 80 74 E4 6D FA 01 00 00 C0 25 E4 6D FA 01 00 00 
{99} normal block at 0x000001FA6DE42B00, 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 0x000001FA6DE3EAB0, 16 bytes long.
 Data: <P  m            > 50 EA E2 6D FA 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001FA6DE2EA50, 40 bytes long.
 Data: <&#176;  m     + m    > B0 EA E3 6D FA 01 00 00 00 2B E4 6D FA 01 00 00 
{74} normal block at 0x000001FA6DE3F1E0, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FA6DE3F410, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FA6DE3E920, 16 bytes long.
 Data: < W              > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FA6DE3F5A0, 16 bytes long.
 Data: <&#216;W              > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FA6DE3F140, 16 bytes long.
 Data: <P               > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FA6DE3F550, 16 bytes long.
 Data: <0               > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FA6DE3F230, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FA6DE3F050, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FA6DE3E880, 16 bytes long.
 Data: <p               > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FA6DE3F190, 16 bytes long.
 Data: < &#192;              > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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