Task 38688106

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8481_0
Workunit 31629475
Created 28 Oct 2026, 11:40:49 UTC
Sent 28 Oct 2026, 11:40:54 UTC
Report deadline 2 Nov 2026, 11:40:54 UTC
Received 28 Oct 2026, 12:28:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550864
Run time 46 min 6 sec
CPU time 43 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 647.49 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:42:15 (3192): wrapper (7.9.26016): starting
07:42:15 (3192): 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
07:42:28 (3192): Library/usr/bin/tar.exe exited; CPU time 0.062500
07:42:28 (3192): 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 'P:\BOINC\data\slots\5\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 'P:\BOINC\data\slots\5\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
08:27:51 (3192): C:/Windows/system32/cmd.exe exited; CPU time 2613.765625
08:27:51 (3192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 37412253 bytes.
Dumping objects ->
{3835191} normal block at 0x000002D82AA96E80, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835180} normal block at 0x000002D82C614CE0, 32 bytes long.
 Data: <HOME=P:\BOINC\da> 48 4F 4D 45 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835169} normal block at 0x000002D82C615820, 32 bytes long.
 Data: <TMP=P:\BOINC\dat> 54 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835158} normal block at 0x000002D82C614FE0, 32 bytes long.
 Data: <TEMP=P:\BOINC\da> 54 45 4D 50 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835147} normal block at 0x000002D82C615D00, 32 bytes long.
 Data: <TMPDIR=P:\BOINC\> 54 4D 50 44 49 52 3D 50 3A 5C 42 4F 49 4E 43 5C 
{3835116} normal block at 0x000002D82AA96CC0, 48 bytes long.
 Data: <PATH=P:\BOINC\da> 50 41 54 48 3D 50 3A 5C 42 4F 49 4E 43 5C 64 61 
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000002D82AA66A60, 8 bytes long.
 Data: <  &#164;*&#216;   > 00 00 A4 2A D8 02 00 00 
{3833953} normal block at 0x000002D82AA673C0, 8 bytes long.
 Data: <&#224;}&#171;*&#216;   > E0 7D AB 2A D8 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002D82AA712F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D82AA5ABB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002D82AA72600, 16 bytes long.
 Data: <8I&#167;*&#216;           > 38 49 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D82AA72650, 16 bytes long.
 Data: < I&#167;*&#216;           > 10 49 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D82AA6CA00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002D82AA730F0, 16 bytes long.
 Data: <&#232;H&#167;*&#216;           > E8 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D82AA72380, 16 bytes long.
 Data: <&#192;H&#167;*&#216;           > C0 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D82AA730A0, 16 bytes long.
 Data: < H&#167;*&#216;           > 98 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D82AA72330, 16 bytes long.
 Data: <pH&#167;*&#216;           > 70 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D82AA6B740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002D82AA72A10, 16 bytes long.
 Data: <&#168;&#198;&#166;*&#216;           > A8 C6 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D82AA6CBE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002D82AA72F10, 16 bytes long.
 Data: < &#198;&#166;*&#216;           > 80 C6 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D82AA722E0, 16 bytes long.
 Data: <X&#198;&#166;*&#216;           > 58 C6 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D82AA729C0, 16 bytes long.
 Data: <0&#198;&#166;*&#216;           > 30 C6 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D82AA72E70, 16 bytes long.
 Data: < &#198;&#166;*&#216;           > 08 C6 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D82AA72BF0, 16 bytes long.
 Data: <&#224;&#197;&#166;*&#216;           > E0 C5 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D82AA72790, 16 bytes long.
 Data: <&#184;&#197;&#166;*&#216;           > B8 C5 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D82AA6D1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002D82AA72DD0, 16 bytes long.
 Data: < &#197;&#166;*&#216;           > 90 C5 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D82AA6C590, 320 bytes long.
 Data: <&#208;-&#167;*&#216;   &#224;&#209;&#166;*&#216;   > D0 2D A7 2A D8 02 00 00 E0 D1 A6 2A D8 02 00 00 
{272} normal block at 0x000002D82AA72740, 16 bytes long.
 Data: <PH&#167;*&#216;           > 50 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D82AA73050, 16 bytes long.
 Data: <(H&#167;*&#216;           > 28 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D82AA6CB20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002D82AA72970, 16 bytes long.
 Data: < H&#167;*&#216;           > 00 48 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D82AA6D540, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002D82AA725B0, 16 bytes long.
 Data: <HG&#167;*&#216;           > 48 47 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D82AA72560, 16 bytes long.
 Data: < G&#167;*&#216;           > 20 47 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D82AA72920, 16 bytes long.
 Data: <&#248;F&#167;*&#216;           > F8 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D82AA726F0, 16 bytes long.
 Data: <&#208;F&#167;*&#216;           > D0 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D82AA72D80, 16 bytes long.
 Data: <&#168;F&#167;*&#216;           > A8 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D82AA72E20, 16 bytes long.
 Data: < F&#167;*&#216;           > 80 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D82AA72880, 16 bytes long.
 Data: <`&#182;&#166;*&#216;           > 60 B6 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D82AA6B660, 40 bytes long.
 Data: < (&#167;*&#216;   &#192;l&#169;*&#216;   > 80 28 A7 2A D8 02 00 00 C0 6C A9 2A D8 02 00 00 
{258} normal block at 0x000002D82AA72AB0, 16 bytes long.
 Data: <`F&#167;*&#216;           > 60 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D82AA72FB0, 16 bytes long.
 Data: <8F&#167;*&#216;           > 38 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D82AA6D4E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002D82AA72BA0, 16 bytes long.
 Data: < F&#167;*&#216;           > 10 46 A7 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002D82AA74610, 992 bytes long.
 Data: <&#160;+&#167;*&#216;   &#224;&#212;&#166;*&#216;   > A0 2B A7 2A D8 02 00 00 E0 D4 A6 2A D8 02 00 00 
{90} normal block at 0x000002D82AA6D180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002D82AA66B50, 16 bytes long.
 Data: < &#181;&#166;*&#216;           > 10 B5 A6 2A D8 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002D82AA6B510, 40 bytes long.
 Data: <Pk&#166;*&#216;    &#209;&#166;*&#216;   > 50 6B A6 2A D8 02 00 00 80 D1 A6 2A D8 02 00 00 
{67} normal block at 0x000002D82AA66830, 16 bytes long.
 Data: < &#234;[&#255;&#247;           > 80 EA 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D82AA66650, 16 bytes long.
 Data: <@&#233;[&#255;&#247;           > 40 E9 5B FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D82AA675A0, 16 bytes long.
 Data: <&#248;WX&#255;&#247;           > F8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D82AA66970, 16 bytes long.
 Data: <&#216;WX&#255;&#247;           > D8 57 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D82AA66B00, 16 bytes long.
 Data: <P X&#255;&#247;           > 50 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D82AA674B0, 16 bytes long.
 Data: <0 X&#255;&#247;           > 30 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D82AA66920, 16 bytes long.
 Data: <&#224; X&#255;&#247;           > E0 02 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D82AA67500, 16 bytes long.
 Data: <  X&#255;&#247;           > 10 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D82AA66CE0, 16 bytes long.
 Data: <p X&#255;&#247;           > 70 04 58 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D82AA67370, 16 bytes long.
 Data: < &#192;V&#255;&#247;           > 18 C0 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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