Task 38696381

Name test_616-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2206_0
Workunit 31637014
Created 31 Oct 2026, 22:50:58 UTC
Sent 31 Oct 2026, 22:50:59 UTC
Report deadline 5 Nov 2026, 22:50:59 UTC
Received 1 Nov 2026, 2:09:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 47 min 16 sec
CPU time 45 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.89 MB
Peak swap size 12.98 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
02:00:25 (14524): wrapper (7.9.26016): starting
02:00:25 (14524): 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
02:00:26 (14524): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:00:26 (14524): 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:\boinc\slots\1\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:\boinc\slots\1\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
02:45:38 (14524): C:/Windows/system32/cmd.exe exited; CPU time 2704.093750
02:45:38 (14524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 46036513 bytes.
Dumping objects ->
{3835301} normal block at 0x0000025C53514230, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x0000025C553A4450, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x0000025C553A4E10, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x0000025C553A4A50, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x0000025C553A43F0, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x0000025C535140E0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x0000025C5536D5F0, 102 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) : {3835212} normal block at 0x0000025C5350EDB0, 8 bytes long.
 Data: <  &#190;S\   > 00 00 BE 53 5C 02 00 00 
{3834573} normal block at 0x0000025C5536D490, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000025C5350F5D0, 8 bytes long.
 Data: <&#176;9;U\   > B0 39 3B 55 5C 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000025C535055B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025C53506DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000025C53514E70, 16 bytes long.
 Data: < JQS\           > 08 4A 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025C53514C40, 16 bytes long.
 Data: <&#224;IQS\           > E0 49 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025C5350FB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000025C535150A0, 16 bytes long.
 Data: <&#184;IQS\           > B8 49 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025C53514BF0, 16 bytes long.
 Data: < IQS\           > 90 49 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025C53514BA0, 16 bytes long.
 Data: <hIQS\           > 68 49 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025C53515960, 16 bytes long.
 Data: <@IQS\           > 40 49 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025C53514380, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000025C53515910, 16 bytes long.
 Data: <&#248;&#240;OS\           > F8 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025C535101A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000025C53514B50, 16 bytes long.
 Data: <&#208;&#240;OS\           > D0 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025C53514E20, 16 bytes long.
 Data: <&#168;&#240;OS\           > A8 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025C53514CE0, 16 bytes long.
 Data: < &#240;OS\           > 80 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025C53514FB0, 16 bytes long.
 Data: <X&#240;OS\           > 58 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025C535155F0, 16 bytes long.
 Data: <0&#240;OS\           > 30 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025C53515A00, 16 bytes long.
 Data: < &#240;OS\           > 08 F0 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025C5350F900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000025C53514DD0, 16 bytes long.
 Data: <&#224;&#239;OS\           > E0 EF 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025C534FEFE0, 320 bytes long.
 Data: <&#208;MQS\    &#249;PS\   > D0 4D 51 53 5C 02 00 00 00 F9 50 53 5C 02 00 00 
{266} normal block at 0x0000025C53515050, 16 bytes long.
 Data: < IQS\           > 20 49 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025C53515A50, 16 bytes long.
 Data: <&#248;HQS\           > F8 48 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025C5350FA20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000025C53515AA0, 16 bytes long.
 Data: <&#208;HQS\           > D0 48 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025C5350FE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000025C535159B0, 16 bytes long.
 Data: < HQS\           > 18 48 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025C535157D0, 16 bytes long.
 Data: <&#240;GQS\           > F0 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025C53515190, 16 bytes long.
 Data: <&#200;GQS\           > C8 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025C535155A0, 16 bytes long.
 Data: <&#160;GQS\           > A0 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025C5350EF90, 16 bytes long.
 Data: <xGQS\           > 78 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025C5350F260, 16 bytes long.
 Data: <PGQS\           > 50 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025C5350EB80, 16 bytes long.
 Data: < FQS\           > 20 46 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025C53514620, 40 bytes long.
 Data: < &#235;PS\   &#224;@QS\   > 80 EB 50 53 5C 02 00 00 E0 40 51 53 5C 02 00 00 
{252} normal block at 0x0000025C5350EA90, 16 bytes long.
 Data: <0GQS\           > 30 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000025C5350F210, 16 bytes long.
 Data: < GQS\           > 08 47 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000025C535105C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000025C5350F4E0, 16 bytes long.
 Data: <&#224;FQS\           > E0 46 51 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000025C535146E0, 992 bytes long.
 Data: <&#224;&#244;PS\   &#192; QS\   > E0 F4 50 53 5C 02 00 00 C0 05 51 53 5C 02 00 00 
{84} normal block at 0x0000025C5350FDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000025C5350F080, 16 bytes long.
 Data: < &#197;OS\           > 10 C5 4F 53 5C 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000025C534FC510, 40 bytes long.
 Data: < &#240;PS\   &#224;&#253;PS\   > 80 F0 50 53 5C 02 00 00 E0 FD 50 53 5C 02 00 00 
{61} normal block at 0x0000025C5350ED60, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025C5350F580, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025C5350F530, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025C5350EE50, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025C5350E8B0, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025C5350ECC0, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000025C5350EC70, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000025C5350ED10, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000025C5350F030, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000025C5350E860, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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