Task 38645313

Name test_46-GPUGRID_TEST_ATM_100_20261023-0-1-RND9506_0
Workunit 31590283
Created 23 Oct 2026, 15:26:28 UTC
Sent 23 Oct 2026, 15:26:53 UTC
Report deadline 28 Oct 2026, 15:26:53 UTC
Received 23 Oct 2026, 16:26:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 45 min 31 sec
CPU time 39 min 51 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 682.52 MB
Peak swap size 5.22 GB
Peak disk usage 3.65 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:41:35 (17684): wrapper (7.9.26016): starting
18:41:35 (17684): 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
18:41:37 (17684): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:41:37 (17684): 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
19:25:52 (17684): C:/Windows/system32/cmd.exe exited; CPU time 2391.750000
19:25:52 (17684): 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: 39757529 bytes.
Dumping objects ->
{3835181} normal block at 0x000001A744FE0E20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001A744FE0B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000001A744FE1210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x000001A743411030, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001A743410FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x000001A745029000, 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) : {3835093} normal block at 0x000001A74340C920, 8 bytes long.
 Data: <  =C&#167;   > 00 00 3D 43 A7 01 00 00 
{3833945} normal block at 0x000001A74340C4C0, 8 bytes long.
 Data: <0y E&#167;   > 30 79 08 45 A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A743404C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A743403620, 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 0x000001A74341A6D0, 16 bytes long.
 Data: <&#184;&#175;AC&#167;           > B8 AF 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A74341A5E0, 16 bytes long.
 Data: < &#175;AC&#167;           > 90 AF 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A743411F40, 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 0x000001A74341A090, 16 bytes long.
 Data: <h&#175;AC&#167;           > 68 AF 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A74341A450, 16 bytes long.
 Data: <@&#175;AC&#167;           > 40 AF 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A74341A680, 16 bytes long.
 Data: < &#175;AC&#167;           > 18 AF 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A74341A3B0, 16 bytes long.
 Data: <&#240;&#174;AC&#167;           > F0 AE 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A743411260, 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 0x000001A74341A4F0, 16 bytes long.
 Data: <&#248;&#204;?C&#167;           > F8 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A743412A80, 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 0x000001A74341A8B0, 16 bytes long.
 Data: <&#208;&#204;?C&#167;           > D0 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A74341AA40, 16 bytes long.
 Data: <&#168;&#204;?C&#167;           > A8 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A74341A310, 16 bytes long.
 Data: < &#204;?C&#167;           > 80 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A743419F50, 16 bytes long.
 Data: <X&#204;?C&#167;           > 58 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A743419F00, 16 bytes long.
 Data: <0&#204;?C&#167;           > 30 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A74341A360, 16 bytes long.
 Data: < &#204;?C&#167;           > 08 CC 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A743412BA0, 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 0x000001A74341A040, 16 bytes long.
 Data: <&#224;&#203;?C&#167;           > E0 CB 3F 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A7433FCBE0, 320 bytes long.
 Data: <@&#160;AC&#167;   &#160;+AC&#167;   > 40 A0 41 43 A7 01 00 00 A0 2B 41 43 A7 01 00 00 
{268} normal block at 0x000001A74341A810, 16 bytes long.
 Data: <&#208;&#174;AC&#167;           > D0 AE 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A74341AAE0, 16 bytes long.
 Data: <&#168;&#174;AC&#167;           > A8 AE 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A743412240, 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 0x000001A74341AA90, 16 bytes long.
 Data: < &#174;AC&#167;           > 80 AE 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A743412C00, 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 0x000001A74341A2C0, 16 bytes long.
 Data: <&#200;&#173;AC&#167;           > C8 AD 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A74341A4A0, 16 bytes long.
 Data: <&#160;&#173;AC&#167;           > A0 AD 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A74341A860, 16 bytes long.
 Data: <x&#173;AC&#167;           > 78 AD 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A743419E10, 16 bytes long.
 Data: <P&#173;AC&#167;           > 50 AD 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A74341A7C0, 16 bytes long.
 Data: <(&#173;AC&#167;           > 28 AD 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A74341A630, 16 bytes long.
 Data: < &#173;AC&#167;           > 00 AD 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A743419FA0, 16 bytes long.
 Data: <&#240; AC&#167;           > F0 11 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A7434111F0, 40 bytes long.
 Data: <&#160;&#159;AC&#167;      E&#167;   > A0 9F 41 43 A7 01 00 00 00 90 02 45 A7 01 00 00 
{254} normal block at 0x000001A74341A770, 16 bytes long.
 Data: <&#224;&#172;AC&#167;           > E0 AC 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A74341A400, 16 bytes long.
 Data: <&#184;&#172;AC&#167;           > B8 AC 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A743411E20, 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 0x000001A743419E60, 16 bytes long.
 Data: < &#172;AC&#167;           > 90 AC 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A74341AC90, 992 bytes long.
 Data: <`&#158;AC&#167;     AC&#167;   > 60 9E 41 43 A7 01 00 00 20 1E 41 43 A7 01 00 00 
{86} normal block at 0x000001A743412CC0, 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 0x000001A74340CC40, 16 bytes long.
 Data: <&#224; AC&#167;           > E0 0E 41 43 A7 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001A743410EE0, 40 bytes long.
 Data: <@&#204;@C&#167;   &#192;,AC&#167;   > 40 CC 40 43 A7 01 00 00 C0 2C 41 43 A7 01 00 00 
{63} normal block at 0x000001A74340C830, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A74340C420, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A74340C6F0, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A74340C1A0, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A74340C7E0, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A74340C010, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A74340C1F0, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A74340BE30, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001A74340C560, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001A74340BE80, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra