Task 38699495

Name test_65-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5588_0
Workunit 31639892
Created 4 Nov 2026, 11:56:18 UTC
Sent 4 Nov 2026, 11:56:23 UTC
Report deadline 9 Nov 2026, 11:56:23 UTC
Received 4 Nov 2026, 17:08:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 17 min 57 sec
CPU time 1 hours 11 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.29 MB
Peak swap size 2.32 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:52:25 (11592): wrapper (7.9.26016): starting
16:52:25 (11592): 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
16:52:27 (11592): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:52:27 (11592): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:07:32 (11592): C:/Windows/system32/cmd.exe exited; CPU time 4318.609375
18:07:32 (11592): 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: 51175475 bytes.
Dumping objects ->
{3835177} normal block at 0x0000026005727C80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000026005728690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000026003C11250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x0000026003C10CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000026003C11170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x00000260056CC110, 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) : {3835089} normal block at 0x0000026003C12C40, 8 bytes long.
 Data: <  Y `   > 00 00 59 05 60 02 00 00 
{3833945} normal block at 0x0000026003BFCCE0, 8 bytes long.
 Data: < lr `   > 90 6C 72 05 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000026003C11930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026003BFA960, 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 0x0000026003C13870, 16 bytes long.
 Data: <h3&#193; `           > 68 33 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026003C12E70, 16 bytes long.
 Data: <@3&#193; `           > 40 33 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026003C0C4D0, 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 0x0000026003C0DA90, 16 bytes long.
 Data: < 3&#193; `           > 18 33 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026003C0D810, 16 bytes long.
 Data: <&#240;2&#193; `           > F0 32 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026003C0D7C0, 16 bytes long.
 Data: <&#200;2&#193; `           > C8 32 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026003C0D770, 16 bytes long.
 Data: <&#160;2&#193; `           > A0 32 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026003C11330, 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 0x0000026003C0D9F0, 16 bytes long.
 Data: < &#181;&#191; `           > 18 B5 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026003C0CF50, 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 0x0000026003C0D720, 16 bytes long.
 Data: <&#240;&#180;&#191; `           > F0 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026003C0D900, 16 bytes long.
 Data: <&#200;&#180;&#191; `           > C8 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026003C0DC20, 16 bytes long.
 Data: <&#160;&#180;&#191; `           > A0 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026003C0D680, 16 bytes long.
 Data: <x&#180;&#191; `           > 78 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026003C0D630, 16 bytes long.
 Data: <P&#180;&#191; `           > 50 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026003C0DBD0, 16 bytes long.
 Data: <(&#180;&#191; `           > 28 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026003C0CA10, 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 0x0000026003C0D9A0, 16 bytes long.
 Data: < &#180;&#191; `           > 00 B4 BF 03 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026003BFB400, 320 bytes long.
 Data: <&#160;&#217;&#192; `    &#202;&#192; `   > A0 D9 C0 03 60 02 00 00 10 CA C0 03 60 02 00 00 
{268} normal block at 0x0000026003C0DC70, 16 bytes long.
 Data: < 2&#193; `           > 80 32 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026003C0DB80, 16 bytes long.
 Data: <X2&#193; `           > 58 32 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026003C0C170, 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 0x0000026003C0D8B0, 16 bytes long.
 Data: <02&#193; `           > 30 32 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026003C0CBF0, 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 0x0000026003C0D5E0, 16 bytes long.
 Data: <x1&#193; `           > 78 31 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026003C0DB30, 16 bytes long.
 Data: <P1&#193; `           > 50 31 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026003C0D860, 16 bytes long.
 Data: <(1&#193; `           > 28 31 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026003C0DAE0, 16 bytes long.
 Data: < 1&#193; `           > 00 31 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026003C128D0, 16 bytes long.
 Data: <&#216;0&#193; `           > D8 30 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026003C12880, 16 bytes long.
 Data: <&#176;0&#193; `           > B0 30 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026003C12BA0, 16 bytes long.
 Data: <&#240; &#193; `           > F0 0D C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026003C10DF0, 40 bytes long.
 Data: <&#160;+&#193; `    &#193;l `   > A0 2B C1 03 60 02 00 00 10 C1 6C 05 60 02 00 00 
{254} normal block at 0x0000026003C12FB0, 16 bytes long.
 Data: < 0&#193; `           > 90 30 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000026003C12BF0, 16 bytes long.
 Data: <h0&#193; `           > 68 30 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000026003C0C470, 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 0x0000026003C12D30, 16 bytes long.
 Data: <@0&#193; `           > 40 30 C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000026003C13040, 992 bytes long.
 Data: <0-&#193; `   p&#196;&#192; `   > 30 2D C1 03 60 02 00 00 70 C4 C0 03 60 02 00 00 
{86} normal block at 0x0000026003C0C7D0, 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 0x0000026003C0D950, 16 bytes long.
 Data: <  &#193; `           > 80 0D C1 03 60 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000026003C10D80, 40 bytes long.
 Data: <P&#217;&#192; `   &#208;&#199;&#192; `   > 50 D9 C0 03 60 02 00 00 D0 C7 C0 03 60 02 00 00 
{63} normal block at 0x0000026003C0D590, 16 bytes long.
 Data: < &#234; &#197;&#247;           > 80 EA 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026003C0D540, 16 bytes long.
 Data: <@&#233; &#197;&#247;           > 40 E9 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026003C06D50, 16 bytes long.
 Data: <&#248;W &#197;&#247;           > F8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026003C06CB0, 16 bytes long.
 Data: <&#216;W &#197;&#247;           > D8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026003C06C60, 16 bytes long.
 Data: <P  &#197;&#247;           > 50 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026003C06B70, 16 bytes long.
 Data: <0  &#197;&#247;           > 30 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026003C06B20, 16 bytes long.
 Data: <&#224;  &#197;&#247;           > E0 02 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000026003C06A80, 16 bytes long.
 Data: <   &#197;&#247;           > 10 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000026003C06A30, 16 bytes long.
 Data: <p  &#197;&#247;           > 70 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000026003C070C0, 16 bytes long.
 Data: < &#192; &#197;&#247;           > 18 C0 0D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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