Task 38685378

Name test_865-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3949_1
Workunit 31625747
Created 27 Oct 2026, 20:47:01 UTC
Sent 27 Oct 2026, 20:47:02 UTC
Report deadline 1 Nov 2026, 20:47:02 UTC
Received 28 Oct 2026, 0:12:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 43 min 48 sec
CPU time 35 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.24 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:58:35 (21528): wrapper (7.9.26016): starting
21:58:35 (21528): 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
21:58:39 (21528): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:58:39 (21528): 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:\BOINC\slots\4\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:\BOINC\slots\4\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
22:40:06 (21528): C:/Windows/system32/cmd.exe exited; CPU time 2115.390625
22:40:06 (21528): 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: 46556315 bytes.
Dumping objects ->
{3835197} normal block at 0x000001DFE299F480, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x000001DFE45643F0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x000001DFE45638B0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x000001DFE45641B0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x000001DFE4564510, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000001DFE299F410, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001DFE2998D90, 8 bytes long.
 Data: <  &#149;&#226;&#223;   > 00 00 95 E2 DF 01 00 00 
{3833953} normal block at 0x000001DFE29987A0, 8 bytes long.
 Data: <&#176;?W&#228;&#223;   > B0 3F 57 E4 DF 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001DFE29A1760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DFE2986140, 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 0x000001DFE29A2840, 16 bytes long.
 Data: < :&#154;&#226;&#223;           > 08 3A 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DFE29A3150, 16 bytes long.
 Data: <&#224;9&#154;&#226;&#223;           > E0 39 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DFE2997960, 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 0x000001DFE29A3100, 16 bytes long.
 Data: <&#184;9&#154;&#226;&#223;           > B8 39 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DFE29A2750, 16 bytes long.
 Data: < 9&#154;&#226;&#223;           > 90 39 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DFE29A25C0, 16 bytes long.
 Data: <h9&#154;&#226;&#223;           > 68 39 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DFE29A2570, 16 bytes long.
 Data: <@9&#154;&#226;&#223;           > 40 39 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DFE299F5D0, 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 0x000001DFE29A30B0, 16 bytes long.
 Data: <&#216;` &#226;&#223;           > D8 60 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DFE29978A0, 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 0x000001DFE29A3060, 16 bytes long.
 Data: <&#176;` &#226;&#223;           > B0 60 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DFE29A3010, 16 bytes long.
 Data: < ` &#226;&#223;           > 88 60 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DFE29A26B0, 16 bytes long.
 Data: <`` &#226;&#223;           > 60 60 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DFE29A3240, 16 bytes long.
 Data: <8` &#226;&#223;           > 38 60 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DFE29A2930, 16 bytes long.
 Data: < ` &#226;&#223;           > 10 60 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DFE29A27A0, 16 bytes long.
 Data: <&#232;_ &#226;&#223;           > E8 5F 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DFE2997720, 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 0x000001DFE29A2700, 16 bytes long.
 Data: <&#192;_ &#226;&#223;           > C0 5F 98 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DFE2985FC0, 320 bytes long.
 Data: < '&#154;&#226;&#223;    w &#226;&#223;   > 00 27 9A E2 DF 01 00 00 20 77 99 E2 DF 01 00 00 
{272} normal block at 0x000001DFE29A2DE0, 16 bytes long.
 Data: < 9&#154;&#226;&#223;           > 20 39 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DFE29A27F0, 16 bytes long.
 Data: <&#248;8&#154;&#226;&#223;           > F8 38 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DFE2997FC0, 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 0x000001DFE29A2660, 16 bytes long.
 Data: <&#208;8&#154;&#226;&#223;           > D0 38 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DFE29976C0, 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 0x000001DFE29A2FC0, 16 bytes long.
 Data: < 8&#154;&#226;&#223;           > 18 38 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DFE29A2C50, 16 bytes long.
 Data: <&#240;7&#154;&#226;&#223;           > F0 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DFE29A2E80, 16 bytes long.
 Data: <&#200;7&#154;&#226;&#223;           > C8 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DFE29A28E0, 16 bytes long.
 Data: <&#160;7&#154;&#226;&#223;           > A0 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DFE29A2F70, 16 bytes long.
 Data: <x7&#154;&#226;&#223;           > 78 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DFE29A2CF0, 16 bytes long.
 Data: <P7&#154;&#226;&#223;           > 50 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DFE29A3420, 16 bytes long.
 Data: <`&#245; &#226;&#223;           > 60 F5 99 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DFE299F560, 40 bytes long.
 Data: < 4&#154;&#226;&#223;    &#244; &#226;&#223;   > 20 34 9A E2 DF 01 00 00 10 F4 99 E2 DF 01 00 00 
{258} normal block at 0x000001DFE29A2890, 16 bytes long.
 Data: <07&#154;&#226;&#223;           > 30 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DFE29A3330, 16 bytes long.
 Data: < 7&#154;&#226;&#223;           > 08 37 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DFE2997660, 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 0x000001DFE29A2B60, 16 bytes long.
 Data: <&#224;6&#154;&#226;&#223;           > E0 36 9A E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001DFE29A36E0, 992 bytes long.
 Data: <`+&#154;&#226;&#223;   `v &#226;&#223;   > 60 2B 9A E2 DF 01 00 00 60 76 99 E2 DF 01 00 00 
{90} normal block at 0x000001DFE2997780, 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 0x000001DFE2998B60, 16 bytes long.
 Data: <&#240;&#244; &#226;&#223;           > F0 F4 99 E2 DF 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001DFE299F4F0, 40 bytes long.
 Data: <`&#139; &#226;&#223;    w &#226;&#223;   > 60 8B 99 E2 DF 01 00 00 80 77 99 E2 DF 01 00 00 
{67} normal block at 0x000001DFE29991A0, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DFE29992E0, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DFE2999150, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DFE2998ED0, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DFE2998430, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DFE2999330, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DFE2998700, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DFE29985C0, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DFE2998A70, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DFE2998FC0, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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