Task 38699533

Name test_614-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2282_0
Workunit 31639925
Created 4 Nov 2026, 13:56:42 UTC
Sent 4 Nov 2026, 13:56:45 UTC
Report deadline 9 Nov 2026, 13:56:45 UTC
Received 4 Nov 2026, 14:52:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 53 min 59 sec
CPU time 50 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.79 MB
Peak swap size 3.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:59:35 (11056): wrapper (7.9.26016): starting
14:59:35 (11056): 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
14:59:38 (11056): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:59:38 (11056): 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\3\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\3\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
15:51:41 (11056): C:/Windows/system32/cmd.exe exited; CPU time 3043.453125
15:51:41 (11056): 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: 37777077 bytes.
Dumping objects ->
{3835420} normal block at 0x00000190B17258B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x00000190B1725920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x00000190B1725610, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x00000190B1725ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x00000190AFA1AFE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x00000190B163BA20, 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) : {3835332} normal block at 0x00000190AFA17060, 8 bytes long.
 Data: <  &#158;&#175;    > 00 00 9E AF 90 01 00 00 
{3833953} normal block at 0x00000190AFA16570, 8 bytes long.
 Data: <&#224;Gr&#177;    > E0 47 72 B1 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000190AFA20F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000190AFA0AD90, 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 0x00000190AFA22140, 16 bytes long.
 Data: <&#168;5 &#175;            > A8 35 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000190AFA22550, 16 bytes long.
 Data: < 5 &#175;            > 80 35 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000190AFA1C8A0, 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 0x00000190AFA22B40, 16 bytes long.
 Data: <X5 &#175;            > 58 35 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000190AFA22910, 16 bytes long.
 Data: <05 &#175;            > 30 35 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000190AFA22D20, 16 bytes long.
 Data: < 5 &#175;            > 08 35 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000190AFA228C0, 16 bytes long.
 Data: <&#224;4 &#175;            > E0 34 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000190AFA1B280, 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 0x00000190AFA22AF0, 16 bytes long.
 Data: <&#168;&#195; &#175;            > A8 C3 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000190AFA1D380, 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 0x00000190AFA22280, 16 bytes long.
 Data: < &#195; &#175;            > 80 C3 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000190AFA223C0, 16 bytes long.
 Data: <X&#195; &#175;            > 58 C3 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000190AFA22870, 16 bytes long.
 Data: <0&#195; &#175;            > 30 C3 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000190AFA229B0, 16 bytes long.
 Data: < &#195; &#175;            > 08 C3 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000190AFA221E0, 16 bytes long.
 Data: <&#224;&#194; &#175;            > E0 C2 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000190AFA22A50, 16 bytes long.
 Data: <&#184;&#194; &#175;            > B8 C2 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000190AFA1C7E0, 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 0x00000190AFA220F0, 16 bytes long.
 Data: < &#194; &#175;            > 90 C2 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000190AFA1C290, 320 bytes long.
 Data: <&#240;  &#175;    &#224;&#199; &#175;    > F0 20 A2 AF 90 01 00 00 E0 C7 A1 AF 90 01 00 00 
{272} normal block at 0x00000190AFA227D0, 16 bytes long.
 Data: <&#192;4 &#175;            > C0 34 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000190AFA22730, 16 bytes long.
 Data: < 4 &#175;            > 98 34 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000190AFA1C9C0, 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 0x00000190AFA22500, 16 bytes long.
 Data: <p4 &#175;            > 70 34 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000190AFA1CAE0, 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 0x00000190AFA226E0, 16 bytes long.
 Data: <&#184;3 &#175;            > B8 33 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000190AFA21F10, 16 bytes long.
 Data: < 3 &#175;            > 90 33 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000190AFA22820, 16 bytes long.
 Data: <h3 &#175;            > 68 33 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000190AFA224B0, 16 bytes long.
 Data: <@3 &#175;            > 40 33 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000190AFA22D70, 16 bytes long.
 Data: < 3 &#175;            > 18 33 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000190AFA22960, 16 bytes long.
 Data: <&#240;2 &#175;            > F0 32 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000190AFA22CD0, 16 bytes long.
 Data: <P&#176; &#175;            > 50 B0 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000190AFA1B050, 40 bytes long.
 Data: <&#208;, &#175;     &#186;c&#177;    > D0 2C A2 AF 90 01 00 00 20 BA 63 B1 90 01 00 00 
{258} normal block at 0x00000190AFA220A0, 16 bytes long.
 Data: <&#208;2 &#175;            > D0 32 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000190AFA22370, 16 bytes long.
 Data: <&#168;2 &#175;            > A8 32 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000190AFA1C900, 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 0x00000190AFA22050, 16 bytes long.
 Data: < 2 &#175;            > 80 32 A2 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000190AFA23280, 992 bytes long.
 Data: <P  &#175;     &#201; &#175;    > 50 20 A2 AF 90 01 00 00 00 C9 A1 AF 90 01 00 00 
{90} normal block at 0x00000190AFA1CE40, 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 0x00000190AFA16BB0, 16 bytes long.
 Data: <`&#179; &#175;            > 60 B3 A1 AF 90 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000190AFA1B360, 40 bytes long.
 Data: <&#176;k &#175;    @&#206; &#175;    > B0 6B A1 AF 90 01 00 00 40 CE A1 AF 90 01 00 00 
{67} normal block at 0x00000190AFA16AC0, 16 bytes long.
 Data: < &#234;&#154;B&#246;           > 80 EA 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000190AFA16B60, 16 bytes long.
 Data: <@&#233;&#154;B&#246;           > 40 E9 9A 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000190AFA16C00, 16 bytes long.
 Data: <&#248;W&#151;B&#246;           > F8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000190AFA16520, 16 bytes long.
 Data: <&#216;W&#151;B&#246;           > D8 57 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000190AFA17150, 16 bytes long.
 Data: <P &#151;B&#246;           > 50 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000190AFA16250, 16 bytes long.
 Data: <0 &#151;B&#246;           > 30 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000190AFA16840, 16 bytes long.
 Data: <&#224; &#151;B&#246;           > E0 02 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000190AFA16FC0, 16 bytes long.
 Data: <  &#151;B&#246;           > 10 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000190AFA17100, 16 bytes long.
 Data: <p &#151;B&#246;           > 70 04 97 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000190AFA16CA0, 16 bytes long.
 Data: < &#192;&#149;B&#246;           > 18 C0 95 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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