Task 38688919

Name test_550-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1430_0
Workunit 31630213
Created 28 Oct 2026, 16:58:32 UTC
Sent 28 Oct 2026, 16:58:37 UTC
Report deadline 2 Nov 2026, 16:58:37 UTC
Received 28 Oct 2026, 18:17:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 7 min 25 sec
CPU time 1 hours 4 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.14 MB
Peak swap size 12.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:59:59 (41172): wrapper (7.9.26016): starting
01:59:59 (41172): 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
02:00:01 (41172): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:00:01 (41172): 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\34\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\34\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
03:06:33 (41172): C:/Windows/system32/cmd.exe exited; CPU time 3897.859375
03:06:33 (41172): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67303941 bytes.
Dumping objects ->
{3835600} normal block at 0x000001B873899B70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000001B873899F60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x000001B87389A510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x000001B87389A4A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001B87389A430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x000001B875868630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001B87587EE20, 104 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) : {3835511} normal block at 0x000001B87386EB50, 8 bytes long.
 Data: <  ~s&#184;   > 00 00 7E 73 B8 01 00 00 
{3834797} normal block at 0x000001B87587F9D0, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x000001B87386E380, 8 bytes long.
 Data: <   s&#184;   > 90 E5 94 73 B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001B8738731D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001B873866EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001B873876490, 16 bytes long.
 Data: <xw s&#184;           > 78 77 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001B873876FD0, 16 bytes long.
 Data: <Pw s&#184;           > 50 77 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001B873870C10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001B873876DF0, 16 bytes long.
 Data: <(w s&#184;           > 28 77 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001B8738765D0, 16 bytes long.
 Data: < w s&#184;           > 00 77 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001B873876940, 16 bytes long.
 Data: <&#216;v s&#184;           > D8 76 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001B873876F80, 16 bytes long.
 Data: <&#176;v s&#184;           > B0 76 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001B8738712E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001B873876F30, 16 bytes long.
 Data: <8  s&#184;           > 38 01 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B873870910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001B873877250, 16 bytes long.
 Data: <   s&#184;           > 10 01 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B873876EE0, 16 bytes long.
 Data: <   s&#184;           > E8 00 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B873876760, 16 bytes long.
 Data: <&#192;  s&#184;           > C0 00 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B873876850, 16 bytes long.
 Data: <   s&#184;           > 98 00 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B873876E40, 16 bytes long.
 Data: <p  s&#184;           > 70 00 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B8738773E0, 16 bytes long.
 Data: <H  s&#184;           > 48 00 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B873870BB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000001B873876580, 16 bytes long.
 Data: <   s&#184;           > 20 00 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B873870020, 320 bytes long.
 Data: < e s&#184;   &#176;  s&#184;   > 80 65 87 73 B8 01 00 00 B0 0B 87 73 B8 01 00 00 
{288} normal block at 0x000001B873876B70, 16 bytes long.
 Data: < v s&#184;           > 90 76 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B873876D00, 16 bytes long.
 Data: <hv s&#184;           > 68 76 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B873870A90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001B873876E90, 16 bytes long.
 Data: <@v s&#184;           > 40 76 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B873870430, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001B8738772A0, 16 bytes long.
 Data: < u s&#184;           > 88 75 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B873876B20, 16 bytes long.
 Data: <`u s&#184;           > 60 75 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B8738769E0, 16 bytes long.
 Data: <8u s&#184;           > 38 75 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B873876DA0, 16 bytes long.
 Data: < u s&#184;           > 10 75 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B8738768A0, 16 bytes long.
 Data: < t s&#184;           > E8 74 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B873876AD0, 16 bytes long.
 Data: <&#192;t s&#184;           > C0 74 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B873876800, 16 bytes long.
 Data: <   s&#184;           > 00 19 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B873871900, 40 bytes long.
 Data: < h s&#184;   0  u&#184;   > 00 68 87 73 B8 01 00 00 30 86 86 75 B8 01 00 00 
{274} normal block at 0x000001B873876D50, 16 bytes long.
 Data: < t s&#184;           > A0 74 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B873876620, 16 bytes long.
 Data: <xt s&#184;           > 78 74 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B8738703D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001B873876BC0, 16 bytes long.
 Data: <Pt s&#184;           > 50 74 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B873877450, 992 bytes long.
 Data: <&#192;k s&#184;   &#208;  s&#184;   > C0 6B 87 73 B8 01 00 00 D0 03 87 73 B8 01 00 00 
{106} normal block at 0x000001B873870C70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001B87386E830, 16 bytes long.
 Data: <   s&#184;           > 20 18 87 73 B8 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001B873871820, 40 bytes long.
 Data: <0  s&#184;   p  s&#184;   > 30 E8 86 73 B8 01 00 00 70 0C 87 73 B8 01 00 00 
{81} normal block at 0x000001B87386DF70, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001B87386E470, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001B87386E3D0, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001B87386EE70, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001B87386E650, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001B87386EC90, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001B87386E920, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001B87386E6F0, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B87386EE20, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B87386EA60, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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