Task 38678483

Name test_934-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8174_0
Workunit 31620301
Created 26 Oct 2026, 17:33:35 UTC
Sent 26 Oct 2026, 17:33:39 UTC
Report deadline 31 Oct 2026, 17:33:39 UTC
Received 26 Oct 2026, 18:55:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 3 min 50 sec
CPU time 55 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.21 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:53:33 (46304): wrapper (7.9.26016): starting
12:53:33 (46304): 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
12:53:37 (46304): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:53:37 (46304): 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
13:54:50 (46304): C:/Windows/system32/cmd.exe exited; CPU time 3339.203125
13:54:50 (46304): 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: 98977195 bytes.
Dumping objects ->
{3835249} normal block at 0x00000282924763F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000028292476A80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000282924762A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000028292476930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000282924761C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x00000282922E11D0, 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) : {3835161} normal block at 0x000002829068BAA0, 8 bytes long.
 Data: <  &#182; &#130;   > 00 00 B6 90 82 02 00 00 
{3833977} normal block at 0x000002829068C400, 8 bytes long.
 Data: < &#232;g &#130;   > 90 E8 67 90 82 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000028290692380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002829067F8A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000028290697C90, 16 bytes long.
 Data: <&#168;&#130;i &#130;           > A8 82 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000028290697E70, 16 bytes long.
 Data: < &#130;i &#130;           > 80 82 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002829068FA10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000028290697290, 16 bytes long.
 Data: <X&#130;i &#130;           > 58 82 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028290697920, 16 bytes long.
 Data: <0&#130;i &#130;           > 30 82 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000028290697C40, 16 bytes long.
 Data: < &#130;i &#130;           > 08 82 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028290697150, 16 bytes long.
 Data: <&#224; i &#130;           > E0 81 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000282906958B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000028290697600, 16 bytes long.
 Data: <H&#165;h &#130;           > 48 A5 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000282906903D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000028290697B50, 16 bytes long.
 Data: < &#165;h &#130;           > 20 A5 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000282906976F0, 16 bytes long.
 Data: <&#248;&#164;h &#130;           > F8 A4 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028290697BA0, 16 bytes long.
 Data: <&#208;&#164;h &#130;           > D0 A4 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000282906970B0, 16 bytes long.
 Data: <&#168;&#164;h &#130;           > A8 A4 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028290697240, 16 bytes long.
 Data: < &#164;h &#130;           > 80 A4 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028290697E20, 16 bytes long.
 Data: <X&#164;h &#130;           > 58 A4 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002829068F9B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000282906975B0, 16 bytes long.
 Data: <0&#164;h &#130;           > 30 A4 68 90 82 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002829068A430, 320 bytes long.
 Data: <&#176;ui &#130;   &#176;&#249;h &#130;   > B0 75 69 90 82 02 00 00 B0 F9 68 90 82 02 00 00 
{284} normal block at 0x0000028290697830, 16 bytes long.
 Data: <&#192; i &#130;           > C0 81 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028290697560, 16 bytes long.
 Data: <  i &#130;           > 98 81 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002829068F950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000282906977E0, 16 bytes long.
 Data: <p i &#130;           > 70 81 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002829068FEF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000028290696FC0, 16 bytes long.
 Data: <&#184; i &#130;           > B8 80 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028290697BF0, 16 bytes long.
 Data: <  i &#130;           > 90 80 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028290697740, 16 bytes long.
 Data: <h i &#130;           > 68 80 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028290697F10, 16 bytes long.
 Data: <@ i &#130;           > 40 80 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028290697510, 16 bytes long.
 Data: <  i &#130;           > 18 80 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000282906971F0, 16 bytes long.
 Data: <&#240; i &#130;           > F0 7F 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028290697060, 16 bytes long.
 Data: <0Ui &#130;           > 30 55 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028290695530, 40 bytes long.
 Data: <`pi &#130;   &#208; .&#146;&#130;   > 60 70 69 90 82 02 00 00 D0 11 2E 92 82 02 00 00 
{270} normal block at 0x0000028290697970, 16 bytes long.
 Data: <&#208; i &#130;           > D0 7F 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028290697EC0, 16 bytes long.
 Data: <&#168; i &#130;           > A8 7F 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002829068F8F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000028290697B00, 16 bytes long.
 Data: <  i &#130;           > 80 7F 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028290697F80, 992 bytes long.
 Data: < {i &#130;   &#240;&#248;h &#130;   > 00 7B 69 90 82 02 00 00 F0 F8 68 90 82 02 00 00 
{102} normal block at 0x00000282906901F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000002829068B6E0, 16 bytes long.
 Data: < Zi &#130;           > 00 5A 69 90 82 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000028290695A00, 40 bytes long.
 Data: <&#224;&#182;h &#130;   &#240; i &#130;   > E0 B6 68 90 82 02 00 00 F0 01 69 90 82 02 00 00 
{79} normal block at 0x000002829068C310, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002829068BBE0, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002829068C3B0, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002829068C1D0, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002829068C0E0, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002829068BE10, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002829068C270, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002829068B780, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002829068B8C0, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002829068C4F0, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra