Task 38688367

Name test_861-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0987_0
Workunit 31629722
Created 28 Oct 2026, 13:25:31 UTC
Sent 28 Oct 2026, 13:25:34 UTC
Report deadline 2 Nov 2026, 13:25:34 UTC
Received 28 Oct 2026, 16:18:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 45 min 54 sec
CPU time 1 hours 33 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.19 MB
Peak swap size 2.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:34:46 (6636): wrapper (7.9.26016): starting
08:34:46 (6636): 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
08:34:49 (6636): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:34:49 (6636): 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\0\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\0\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: Exiting with failure status due to previous errors
10:17:42 (6636): C:/Windows/system32/cmd.exe exited; CPU time 5588.078125
10:17:42 (6636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 67178831 bytes.
Dumping objects ->
{3835251} normal block at 0x000002361A934970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002361A935380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002361A934E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000002361A934900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002361A934890, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002361A81BBC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000023618D325F0, 235 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) : {3835162} normal block at 0x0000023618D26EA0, 8 bytes long.
 Data: <  &#205; 6   > 00 00 CD 18 36 02 00 00 
{3834555} normal block at 0x0000023618D324C0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000023618D26900, 8 bytes long.
 Data: < !&#218; 6   > 80 21 DA 18 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023618D2FE40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023618D1A990, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000023618D31B00, 16 bytes long.
 Data: <86&#211; 6           > 38 36 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023618D316A0, 16 bytes long.
 Data: < 6&#211; 6           > 10 36 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023618D2C7F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000023618D31740, 16 bytes long.
 Data: <&#232;5&#211; 6           > E8 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023618D316F0, 16 bytes long.
 Data: <&#192;5&#211; 6           > C0 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023618D31290, 16 bytes long.
 Data: < 5&#211; 6           > 98 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023618D31830, 16 bytes long.
 Data: <p5&#211; 6           > 70 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023618D2B540, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000023618D31C90, 16 bytes long.
 Data: <8&#194;&#210; 6           > 38 C2 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023618D2CFD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000023618D31AB0, 16 bytes long.
 Data: < &#194;&#210; 6           > 10 C2 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023618D31CE0, 16 bytes long.
 Data: <&#232;&#193;&#210; 6           > E8 C1 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023618D315B0, 16 bytes long.
 Data: <&#192;&#193;&#210; 6           > C0 C1 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023618D30FC0, 16 bytes long.
 Data: < &#193;&#210; 6           > 98 C1 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023618D31240, 16 bytes long.
 Data: <p&#193;&#210; 6           > 70 C1 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023618D31970, 16 bytes long.
 Data: <H&#193;&#210; 6           > 48 C1 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023618D2CBB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000023618D31560, 16 bytes long.
 Data: < &#193;&#210; 6           > 20 C1 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023618D2C120, 320 bytes long.
 Data: <` &#211; 6   &#176;&#203;&#210; 6   > 60 15 D3 18 36 02 00 00 B0 CB D2 18 36 02 00 00 
{268} normal block at 0x0000023618D31650, 16 bytes long.
 Data: <P5&#211; 6           > 50 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023618D314C0, 16 bytes long.
 Data: <(5&#211; 6           > 28 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023618D2C850, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000023618D30D90, 16 bytes long.
 Data: < 5&#211; 6           > 00 35 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023618D2CE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000023618D31920, 16 bytes long.
 Data: <H4&#211; 6           > 48 34 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023618D31600, 16 bytes long.
 Data: < 4&#211; 6           > 20 34 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023618D311A0, 16 bytes long.
 Data: <&#248;3&#211; 6           > F8 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023618D31470, 16 bytes long.
 Data: <&#208;3&#211; 6           > D0 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023618D318D0, 16 bytes long.
 Data: <&#168;3&#211; 6           > A8 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023618D30DE0, 16 bytes long.
 Data: < 3&#211; 6           > 80 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023618D31510, 16 bytes long.
 Data: <0&#178;&#210; 6           > 30 B2 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023618D2B230, 40 bytes long.
 Data: <  &#211; 6   &#192;&#187;  6   > 10 15 D3 18 36 02 00 00 C0 BB 81 1A 36 02 00 00 
{254} normal block at 0x0000023618D311F0, 16 bytes long.
 Data: <`3&#211; 6           > 60 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023618D31B50, 16 bytes long.
 Data: <83&#211; 6           > 38 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023618D2CF10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000023618D317E0, 16 bytes long.
 Data: < 3&#211; 6           > 10 33 D3 18 36 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000023618D33310, 992 bytes long.
 Data: <&#224; &#211; 6    &#207;&#210; 6   > E0 17 D3 18 36 02 00 00 10 CF D2 18 36 02 00 00 
{86} normal block at 0x0000023618D2D1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000023618D26360, 16 bytes long.
 Data: < &#182;&#210; 6           > 90 B6 D2 18 36 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000023618D2B690, 40 bytes long.
 Data: <`c&#210; 6   &#176;&#209;&#210; 6   > 60 63 D2 18 36 02 00 00 B0 D1 D2 18 36 02 00 00 
{63} normal block at 0x0000023618D26F90, 16 bytes long.
 Data: < &#234;&#163;&#247;&#247;           > 80 EA A3 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023618D26450, 16 bytes long.
 Data: <@&#233;&#163;&#247;&#247;           > 40 E9 A3 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023618D26F40, 16 bytes long.
 Data: <&#248;W&#160;&#247;&#247;           > F8 57 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023618D26E00, 16 bytes long.
 Data: <&#216;W&#160;&#247;&#247;           > D8 57 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023618D271C0, 16 bytes long.
 Data: <P &#160;&#247;&#247;           > 50 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023618D26810, 16 bytes long.
 Data: <0 &#160;&#247;&#247;           > 30 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023618D26310, 16 bytes long.
 Data: <&#224; &#160;&#247;&#247;           > E0 02 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023618D26770, 16 bytes long.
 Data: <  &#160;&#247;&#247;           > 10 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023618D26720, 16 bytes long.
 Data: <p &#160;&#247;&#247;           > 70 04 A0 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023618D266D0, 16 bytes long.
 Data: < &#192;&#158;&#247;&#247;           > 18 C0 9E F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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