Task 38679407

Name test_876-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1465_0
Workunit 31621183
Created 26 Oct 2026, 20:27:04 UTC
Sent 26 Oct 2026, 20:27:06 UTC
Report deadline 31 Oct 2026, 20:27:06 UTC
Received 26 Oct 2026, 21:14:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 38 min 14 sec
CPU time 34 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.66 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:36:48 (18444): wrapper (7.9.26016): starting
16:36:48 (18444): 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
16:36:49 (18444): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:36:49 (18444): 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\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:\ProgramData\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
17:14:11 (18444): C:/Windows/system32/cmd.exe exited; CPU time 2040.281250
17:14:11 (18444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 38216653 bytes.
Dumping objects ->
{3835479} normal block at 0x0000027B982345B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000027B98234460, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000027B98234310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x0000027B98234230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000027B98234070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x0000027B9A004880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000027B9A01DB90, 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) : {3835390} normal block at 0x0000027B9822EB00, 8 bytes long.
 Data: <    {   > 00 00 1B 98 7B 02 00 00 
{3834663} normal block at 0x0000027B9A01DAE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000027B9822F690, 8 bytes long.
 Data: <&#160; % {   > A0 8F 25 98 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027B98230510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027B9821CD60, 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 0x0000027B982350C0, 16 bytes long.
 Data: < M# {           > 98 4D 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027B98235A20, 16 bytes long.
 Data: <pM# {           > 70 4D 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027B9822E4B0, 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 0x0000027B98235480, 16 bytes long.
 Data: <HM# {           > 48 4D 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027B98235BB0, 16 bytes long.
 Data: < M# {           > 20 4D 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027B98235E30, 16 bytes long.
 Data: <&#248;L# {           > F8 4C 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027B98235430, 16 bytes long.
 Data: <&#208;L# {           > D0 4C 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027B982344D0, 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 0x0000027B98235840, 16 bytes long.
 Data: < &#252;! {           > 98 FC 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027B9822E1B0, 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 0x0000027B982354D0, 16 bytes long.
 Data: <p&#252;! {           > 70 FC 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027B98235CF0, 16 bytes long.
 Data: <H&#252;! {           > 48 FC 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027B98235110, 16 bytes long.
 Data: < &#252;! {           > 20 FC 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027B98235AC0, 16 bytes long.
 Data: <&#248;&#251;! {           > F8 FB 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027B982353E0, 16 bytes long.
 Data: <&#208;&#251;! {           > D0 FB 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027B98235750, 16 bytes long.
 Data: <&#168;&#251;! {           > A8 FB 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027B9822E090, 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 0x0000027B98235890, 16 bytes long.
 Data: < &#251;! {           > 80 FB 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027B9821FB80, 320 bytes long.
 Data: < X# {    &#224;" {   > 90 58 23 98 7B 02 00 00 90 E0 22 98 7B 02 00 00 
{272} normal block at 0x0000027B98235DE0, 16 bytes long.
 Data: <&#176;L# {           > B0 4C 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027B98235390, 16 bytes long.
 Data: < L# {           > 88 4C 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027B9822E990, 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 0x0000027B982352F0, 16 bytes long.
 Data: <`L# {           > 60 4C 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027B9822E6F0, 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 0x0000027B98235340, 16 bytes long.
 Data: <&#168;K# {           > A8 4B 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027B98235D90, 16 bytes long.
 Data: < K# {           > 80 4B 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027B982352A0, 16 bytes long.
 Data: <XK# {           > 58 4B 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027B98235C00, 16 bytes long.
 Data: <0K# {           > 30 4B 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027B9822EFB0, 16 bytes long.
 Data: < K# {           > 08 4B 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027B9822EDD0, 16 bytes long.
 Data: <&#224;J# {           > E0 4A 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027B9822ED80, 16 bytes long.
 Data: <PA# {           > 50 41 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027B98234150, 40 bytes long.
 Data: < &#237;" {    H &#154;{   > 80 ED 22 98 7B 02 00 00 80 48 00 9A 7B 02 00 00 
{258} normal block at 0x0000027B9822FA50, 16 bytes long.
 Data: <&#192;J# {           > C0 4A 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027B9822F5F0, 16 bytes long.
 Data: < J# {           > 98 4A 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027B9822DF70, 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 0x0000027B9822FA00, 16 bytes long.
 Data: <pJ# {           > 70 4A 23 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027B98234A70, 992 bytes long.
 Data: < &#250;" {   p&#223;" {   > 00 FA 22 98 7B 02 00 00 70 DF 22 98 7B 02 00 00 
{90} normal block at 0x0000027B9822DF10, 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 0x0000027B9822F190, 16 bytes long.
 Data: < &#249;! {           > 10 F9 21 98 7B 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000027B9821F910, 40 bytes long.
 Data: < &#241;" {    &#223;" {   > 90 F1 22 98 7B 02 00 00 10 DF 22 98 7B 02 00 00 
{67} normal block at 0x0000027B9822EE70, 16 bytes long.
 Data: < &#234;+&#214;&#247;           > 80 EA 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027B9822F050, 16 bytes long.
 Data: <@&#233;+&#214;&#247;           > 40 E9 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027B9822F730, 16 bytes long.
 Data: <&#248;W(&#214;&#247;           > F8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027B9822F6E0, 16 bytes long.
 Data: <&#216;W(&#214;&#247;           > D8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027B9822F910, 16 bytes long.
 Data: <P (&#214;&#247;           > 50 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027B9822F280, 16 bytes long.
 Data: <0 (&#214;&#247;           > 30 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027B9822F640, 16 bytes long.
 Data: <&#224; (&#214;&#247;           > E0 02 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027B9822EE20, 16 bytes long.
 Data: <  (&#214;&#247;           > 10 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027B9822F7D0, 16 bytes long.
 Data: <p (&#214;&#247;           > 70 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027B9822F4B0, 16 bytes long.
 Data: < &#192;&&#214;&#247;           > 18 C0 26 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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