Task 38699178

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8481_0
Workunit 31639607
Created 3 Nov 2026, 17:57:32 UTC
Sent 3 Nov 2026, 17:57:39 UTC
Report deadline 8 Nov 2026, 17:57:39 UTC
Received 4 Nov 2026, 9:16:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 19 min 6 sec
CPU time 1 hours 12 min 35 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 642.18 MB
Peak swap size 2.32 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:59:06 (3476): wrapper (7.9.26016): starting
08:59:06 (3476): 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
08:59:08 (3476): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:59:08 (3476): 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
10:15:39 (3476): C:/Windows/system32/cmd.exe exited; CPU time 4355.890625
10:15:39 (3476): 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: 52823759 bytes.
Dumping objects ->
{3835177} normal block at 0x000001AFFF9A6CC0, 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 0x000001AFFF9A6FD0, 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 0x000001AFFF160AA0, 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 0x000001AFFF1609C0, 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 0x000001AFFF160640, 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 0x000001AFFF8BB820, 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 0x000001AFFF1569B0, 8 bytes long.
 Data: <    &#175;   > 00 00 11 FF AF 01 00 00 
{3833945} normal block at 0x000001AFFF156D70, 8 bytes long.
 Data: <P`&#154; &#175;   > 50 60 9A FF AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001AFFF160F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AFFF14A960, 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 0x000001AFFF161E90, 16 bytes long.
 Data: <x1  &#175;           > 78 31 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AFFF162660, 16 bytes long.
 Data: <P1  &#175;           > 50 31 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AFFF15CED0, 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 0x000001AFFF162520, 16 bytes long.
 Data: <(1  &#175;           > 28 31 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AFFF162570, 16 bytes long.
 Data: < 1  &#175;           > 00 31 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AFFF162480, 16 bytes long.
 Data: <&#216;0  &#175;           > D8 30 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AFFF162CF0, 16 bytes long.
 Data: <&#176;0  &#175;           > B0 30 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AFFF1606B0, 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 0x000001AFFF162430, 16 bytes long.
 Data: <H&#181;  &#175;           > 48 B5 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AFFF15C9F0, 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 0x000001AFFF162110, 16 bytes long.
 Data: < &#181;  &#175;           > 20 B5 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AFFF162BB0, 16 bytes long.
 Data: <&#248;&#180;  &#175;           > F8 B4 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AFFF162DE0, 16 bytes long.
 Data: <&#208;&#180;  &#175;           > D0 B4 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AFFF162200, 16 bytes long.
 Data: <&#168;&#180;  &#175;           > A8 B4 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AFFF1620C0, 16 bytes long.
 Data: < &#180;  &#175;           > 80 B4 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AFFF162070, 16 bytes long.
 Data: <X&#180;  &#175;           > 58 B4 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AFFF15C810, 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 0x000001AFFF1622A0, 16 bytes long.
 Data: <0&#180;  &#175;           > 30 B4 14 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AFFF14B430, 320 bytes long.
 Data: <&#160;"  &#175;    &#200;  &#175;   > A0 22 16 FF AF 01 00 00 10 C8 15 FF AF 01 00 00 
{268} normal block at 0x000001AFFF162390, 16 bytes long.
 Data: < 0  &#175;           > 90 30 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AFFF162AC0, 16 bytes long.
 Data: <h0  &#175;           > 68 30 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AFFF15C330, 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 0x000001AFFF161FD0, 16 bytes long.
 Data: <@0  &#175;           > 40 30 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AFFF15C870, 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 0x000001AFFF1623E0, 16 bytes long.
 Data: < /  &#175;           > 88 2F 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AFFF162B10, 16 bytes long.
 Data: <`/  &#175;           > 60 2F 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AFFF162930, 16 bytes long.
 Data: <8/  &#175;           > 38 2F 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AFFF162D90, 16 bytes long.
 Data: < /  &#175;           > 10 2F 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AFFF162A70, 16 bytes long.
 Data: <&#232;.  &#175;           > E8 2E 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AFFF162340, 16 bytes long.
 Data: <&#192;.  &#175;           > C0 2E 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AFFF162020, 16 bytes long.
 Data: <@   &#175;           > 40 0D 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AFFF160D40, 40 bytes long.
 Data: <    &#175;    &#184;&#139; &#175;   > 20 20 16 FF AF 01 00 00 20 B8 8B FF AF 01 00 00 
{254} normal block at 0x000001AFFF162750, 16 bytes long.
 Data: <&#160;.  &#175;           > A0 2E 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AFFF162D40, 16 bytes long.
 Data: <x.  &#175;           > 78 2E 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001AFFF15C6F0, 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 0x000001AFFF162700, 16 bytes long.
 Data: <P.  &#175;           > 50 2E 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001AFFF162E50, 992 bytes long.
 Data: < '  &#175;   &#240;&#198;  &#175;   > 00 27 16 FF AF 01 00 00 F0 C6 15 FF AF 01 00 00 
{86} normal block at 0x000001AFFF15D0B0, 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 0x000001AFFF156F00, 16 bytes long.
 Data: <    &#175;           > 90 07 16 FF AF 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001AFFF160790, 40 bytes long.
 Data: < o  &#175;   &#176;&#208;  &#175;   > 00 6F 15 FF AF 01 00 00 B0 D0 15 FF AF 01 00 00 
{63} normal block at 0x000001AFFF156550, 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 0x000001AFFF156960, 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 0x000001AFFF156730, 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 0x000001AFFF156870, 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 0x000001AFFF156AA0, 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 0x000001AFFF156780, 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 0x000001AFFF156B90, 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 0x000001AFFF156B40, 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 0x000001AFFF156D20, 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 0x000001AFFF1568C0, 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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