Task 38647738

Name test_622-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND2424_0
Workunit 31592465
Created 23 Oct 2026, 20:19:15 UTC
Sent 23 Oct 2026, 20:48:20 UTC
Report deadline 28 Oct 2026, 20:48:20 UTC
Received 23 Oct 2026, 22:28:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637963
Run time 44 min 52 sec
CPU time 43 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.89 MB
Peak swap size 6.89 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:44:09 (2372): wrapper (7.9.26016): starting
17:44:09 (2372): 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
17:44:10 (2372): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:44:10 (2372): 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\16\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\16\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
18:28:13 (2372): C:/Windows/system32/cmd.exe exited; CPU time 2580.343750
18:28:13 (2372): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 43467409 bytes.
Dumping objects ->
{3835451} normal block at 0x000001986EF5D260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001986D2D5090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x000001986D2D4E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x000001986D2D54F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000001986D2D5020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000001986EFAAD40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835363} normal block at 0x000001986D2CE340, 8 bytes long.
 Data: <  &#211;n    > 00 00 D3 6E 98 01 00 00 
{3833971} normal block at 0x000001986D2CE070, 8 bytes long.
 Data: <@&#151;/m    > 40 97 2F 6D 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001986D2D1C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001986D2C6B90, 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 0x000001986D2D61D0, 16 bytes long.
 Data: <&#232;l-m            > E8 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001986D2D6810, 16 bytes long.
 Data: <&#192;l-m            > C0 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001986D2CF720, 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 0x000001986D2D6220, 16 bytes long.
 Data: < l-m            > 98 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001986D2D5FF0, 16 bytes long.
 Data: <pl-m            > 70 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001986D2D5AA0, 16 bytes long.
 Data: <Hl-m            > 48 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001986D2D5A50, 16 bytes long.
 Data: < l-m            > 20 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001986D2D4DF0, 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 0x000001986D2D6950, 16 bytes long.
 Data: <&#216;&#246;+m            > D8 F6 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001986D2CF960, 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 0x000001986D2D5FA0, 16 bytes long.
 Data: <&#176;&#246;+m            > B0 F6 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001986D2D5EB0, 16 bytes long.
 Data: < &#246;+m            > 88 F6 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001986D2D5C80, 16 bytes long.
 Data: <`&#246;+m            > 60 F6 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001986D2D6180, 16 bytes long.
 Data: <8&#246;+m            > 38 F6 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001986D2D5DC0, 16 bytes long.
 Data: < &#246;+m            > 10 F6 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001986D2D6450, 16 bytes long.
 Data: <&#232;&#245;+m            > E8 F5 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001986D2CF420, 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 0x000001986D2D68B0, 16 bytes long.
 Data: <&#192;&#245;+m            > C0 F5 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001986D2BF5C0, 320 bytes long.
 Data: <&#176;h-m     &#244;,m    > B0 68 2D 6D 98 01 00 00 20 F4 2C 6D 98 01 00 00 
{281} normal block at 0x000001986D2D5D70, 16 bytes long.
 Data: < l-m            > 00 6C 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001986D2D6900, 16 bytes long.
 Data: <&#216;k-m            > D8 6B 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001986D2CF480, 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 0x000001986D2D64A0, 16 bytes long.
 Data: <&#176;k-m            > B0 6B 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001986D2D0020, 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 0x000001986D2D6860, 16 bytes long.
 Data: <&#248;j-m            > F8 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001986D2D67C0, 16 bytes long.
 Data: <&#208;j-m            > D0 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001986D2D6630, 16 bytes long.
 Data: <&#168;j-m            > A8 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001986D2D6400, 16 bytes long.
 Data: < j-m            > 80 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001986D2D63B0, 16 bytes long.
 Data: <Xj-m            > 58 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001986D2D5F50, 16 bytes long.
 Data: <0j-m            > 30 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001986D2D5E60, 16 bytes long.
 Data: <PR-m            > 50 52 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001986D2D5250, 40 bytes long.
 Data: <`^-m    @&#173;&#250;n    > 60 5E 2D 6D 98 01 00 00 40 AD FA 6E 98 01 00 00 
{267} normal block at 0x000001986D2D5E10, 16 bytes long.
 Data: < j-m            > 10 6A 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001986D2D5D20, 16 bytes long.
 Data: <&#232;i-m            > E8 69 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001986D2CF360, 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 0x000001986D2D5A00, 16 bytes long.
 Data: <&#192;i-m            > C0 69 2D 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001986D2D69C0, 992 bytes long.
 Data: < Z-m    `&#243;,m    > 00 5A 2D 6D 98 01 00 00 60 F3 2C 6D 98 01 00 00 
{99} normal block at 0x000001986D2CF840, 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 0x000001986D2CDA80, 16 bytes long.
 Data: <p&#233;+m            > 70 E9 2B 6D 98 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001986D2BE970, 40 bytes long.
 Data: < &#218;,m    @&#248;,m    > 80 DA 2C 6D 98 01 00 00 40 F8 2C 6D 98 01 00 00 
{76} normal block at 0x000001986D2CE1B0, 16 bytes long.
 Data: < &#234;&#174;4&#246;           > 80 EA AE 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001986D2CDEE0, 16 bytes long.
 Data: <@&#233;&#174;4&#246;           > 40 E9 AE 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001986D2CD850, 16 bytes long.
 Data: <&#248;W&#171;4&#246;           > F8 57 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001986D2CD800, 16 bytes long.
 Data: <&#216;W&#171;4&#246;           > D8 57 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001986D2CD5D0, 16 bytes long.
 Data: <P &#171;4&#246;           > 50 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001986D2CE480, 16 bytes long.
 Data: <0 &#171;4&#246;           > 30 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001986D2CE160, 16 bytes long.
 Data: <&#224; &#171;4&#246;           > E0 02 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001986D2CDCB0, 16 bytes long.
 Data: <  &#171;4&#246;           > 10 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001986D2CD8A0, 16 bytes long.
 Data: <p &#171;4&#246;           > 70 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001986D2CE110, 16 bytes long.
 Data: < &#192;&#169;4&#246;           > 18 C0 A9 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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