Task 38670906

Name test_507-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9731_0
Workunit 31613131
Created 25 Oct 2026, 18:56:10 UTC
Sent 25 Oct 2026, 18:56:15 UTC
Report deadline 30 Oct 2026, 18:56:15 UTC
Received 25 Oct 2026, 21:29:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 35 min 58 sec
CPU time 32 min 20 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 704.85 MB
Peak swap size 3.84 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:09:02 (14416): wrapper (7.9.26016): starting
20:09:02 (14416): 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
20:09:06 (14416): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:09:06 (14416): 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\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 'E:\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:42:32 (14416): C:/Windows/system32/cmd.exe exited; CPU time 1940.375000
20:42:32 (14416): 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: 37527039 bytes.
Dumping objects ->
{3835197} normal block at 0x0000020D8845E9A0, 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 0x0000020D8A065F20, 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 0x0000020D8A066220, 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 0x0000020D8A065BC0, 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 0x0000020D8A065F80, 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 0x0000020D8845E930, 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 0x0000020D884583C0, 8 bytes long.
 Data: <  &#219;&#137;    > 00 00 DB 89 0D 02 00 00 
{3833953} normal block at 0x0000020D884585F0, 8 bytes long.
 Data: <&#208;  &#138;    > D0 20 0A 8A 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020D88461CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D8845DF60, 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 0x0000020D88462C10, 16 bytes long.
 Data: <&#184;=F             > B8 3D 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D884632F0, 16 bytes long.
 Data: < =F             > 90 3D 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D8845D220, 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 0x0000020D88462E90, 16 bytes long.
 Data: <h=F             > 68 3D 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020D88462D50, 16 bytes long.
 Data: <@=F             > 40 3D 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D88462DF0, 16 bytes long.
 Data: < =F             > 18 3D 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020D884630C0, 16 bytes long.
 Data: <&#240;<F             > F0 3C 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D8845E4D0, 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 0x0000020D88462CB0, 16 bytes long.
 Data: <&#216;`D             > D8 60 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D8845D160, 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 0x0000020D88463430, 16 bytes long.
 Data: <&#176;`D             > B0 60 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D88462BC0, 16 bytes long.
 Data: < `D             > 88 60 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D884638E0, 16 bytes long.
 Data: <``D             > 60 60 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D884633E0, 16 bytes long.
 Data: <8`D             > 38 60 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D884636B0, 16 bytes long.
 Data: < `D             > 10 60 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D88462C60, 16 bytes long.
 Data: <&#232;_D             > E8 5F 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D8845CA40, 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 0x0000020D884639D0, 16 bytes long.
 Data: <&#192;_D             > C0 5F 44 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D88445FC0, 320 bytes long.
 Data: <&#208;9F     @&#202;E     > D0 39 46 88 0D 02 00 00 40 CA 45 88 0D 02 00 00 
{272} normal block at 0x0000020D88462EE0, 16 bytes long.
 Data: <&#208;<F             > D0 3C 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020D88462F80, 16 bytes long.
 Data: <&#168;<F             > A8 3C 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D8845D0A0, 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 0x0000020D88463160, 16 bytes long.
 Data: < <F             > 80 3C 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D8845D1C0, 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 0x0000020D88462E40, 16 bytes long.
 Data: <&#200;;F             > C8 3B 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D884637A0, 16 bytes long.
 Data: <&#160;;F             > A0 3B 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020D88463750, 16 bytes long.
 Data: <x;F             > 78 3B 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020D884631B0, 16 bytes long.
 Data: <P;F             > 50 3B 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020D88463700, 16 bytes long.
 Data: <(;F             > 28 3B 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020D88463A20, 16 bytes long.
 Data: < ;F             > 00 3B 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020D88462B70, 16 bytes long.
 Data: <&#240;&#227;E             > F0 E3 45 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020D8845E3F0, 40 bytes long.
 Data: <p+F     0&#233;E     > 70 2B 46 88 0D 02 00 00 30 E9 45 88 0D 02 00 00 
{258} normal block at 0x0000020D88463660, 16 bytes long.
 Data: <&#224;:F             > E0 3A 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020D884634D0, 16 bytes long.
 Data: <&#184;:F             > B8 3A 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020D8845CB00, 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 0x0000020D884632A0, 16 bytes long.
 Data: < :F             > 90 3A 46 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020D88463A90, 992 bytes long.
 Data: <&#160;2F      &#203;E     > A0 32 46 88 0D 02 00 00 00 CB 45 88 0D 02 00 00 
{90} normal block at 0x0000020D8845C9E0, 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 0x0000020D88457B50, 16 bytes long.
 Data: < &#227;E             > 10 E3 45 88 0D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000020D8845E310, 40 bytes long.
 Data: <P{E     &#224;&#201;E     > 50 7B 45 88 0D 02 00 00 E0 C9 45 88 0D 02 00 00 
{67} normal block at 0x0000020D88457BF0, 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 0x0000020D884580F0, 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 0x0000020D88457A10, 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 0x0000020D88457F10, 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 0x0000020D88458370, 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 0x0000020D884584B0, 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 0x0000020D88457EC0, 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 0x0000020D884581E0, 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 0x0000020D88457C40, 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 0x0000020D88457D30, 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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