Task 38671089

Name test_939-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7109_0
Workunit 31613308
Created 25 Oct 2026, 19:30:17 UTC
Sent 25 Oct 2026, 19:30:22 UTC
Report deadline 30 Oct 2026, 19:30:22 UTC
Received 26 Oct 2026, 0:43:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 44 sec
CPU time 30 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.29 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
20:11:08 (3884): wrapper (7.9.26016): starting
20:11:08 (3884): 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
20:11:09 (3884): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:11:09 (3884): 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\2\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\2\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
20:43:15 (3884): C:/Windows/system32/cmd.exe exited; CPU time 1853.218750
20:43:15 (3884): 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: 39861861 bytes.
Dumping objects ->
{3835478} normal block at 0x0000015956788070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x00000159567888C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000015956787BA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x0000015954884CC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x0000015954884C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x00000159567955C0, 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) : {3835390} normal block at 0x0000015954880E20, 8 bytes long.
 Data: <  &#220;TY   > 00 00 DC 54 59 01 00 00 
{3833961} normal block at 0x0000015954881000, 8 bytes long.
 Data: <&#160;H VY   > A0 48 7F 56 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000015954876350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000159548779C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000015954886740, 16 bytes long.
 Data: < X TY           > 88 58 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015954885AC0, 16 bytes long.
 Data: <`X TY           > 60 58 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001595487FB60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000015954885A20, 16 bytes long.
 Data: <8X TY           > 38 58 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015954886920, 16 bytes long.
 Data: < X TY           > 10 58 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000159548859D0, 16 bytes long.
 Data: <&#232;W TY           > E8 57 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015954886150, 16 bytes long.
 Data: <&#192;W TY           > C0 57 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015954884A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000015954886650, 16 bytes long.
 Data: < &#185;&#134;TY           > 08 B9 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015954880160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000015954886330, 16 bytes long.
 Data: <&#224;&#184;&#134;TY           > E0 B8 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015954886100, 16 bytes long.
 Data: <&#184;&#184;&#134;TY           > B8 B8 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000159548861A0, 16 bytes long.
 Data: < &#184;&#134;TY           > 90 B8 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015954885A70, 16 bytes long.
 Data: <h&#184;&#134;TY           > 68 B8 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015954886830, 16 bytes long.
 Data: <@&#184;&#134;TY           > 40 B8 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000159548861F0, 16 bytes long.
 Data: < &#184;&#134;TY           > 18 B8 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001595487FDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000015954885C50, 16 bytes long.
 Data: <&#240;&#183;&#134;TY           > F0 B7 86 54 59 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001595486B7F0, 320 bytes long.
 Data: <P\ TY   &#160;&#253;&#135;TY   > 50 5C 88 54 59 01 00 00 A0 FD 87 54 59 01 00 00 
{276} normal block at 0x00000159548867E0, 16 bytes long.
 Data: <&#160;W TY           > A0 57 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015954885CF0, 16 bytes long.
 Data: <xW TY           > 78 57 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001595487F980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000015954886060, 16 bytes long.
 Data: <PW TY           > 50 57 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001595487F9E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000015954886290, 16 bytes long.
 Data: < V TY           > 98 56 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015954886470, 16 bytes long.
 Data: <pV TY           > 70 56 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015954885E30, 16 bytes long.
 Data: <HV TY           > 48 56 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015954885FC0, 16 bytes long.
 Data: < V TY           > 20 56 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015954885ED0, 16 bytes long.
 Data: <&#248;U TY           > F8 55 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015954880AB0, 16 bytes long.
 Data: <&#208;U TY           > D0 55 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015954880D30, 16 bytes long.
 Data: <&#176;I TY           > B0 49 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000159548849B0, 40 bytes long.
 Data: <0  TY   &#192;UyVY   > 30 0D 88 54 59 01 00 00 C0 55 79 56 59 01 00 00 
{262} normal block at 0x0000015954881820, 16 bytes long.
 Data: <&#176;U TY           > B0 55 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015954880BA0, 16 bytes long.
 Data: < U TY           > 88 55 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000159548804C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000159548817D0, 16 bytes long.
 Data: <`U TY           > 60 55 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015954885560, 992 bytes long.
 Data: <&#208;  TY   &#192;  TY   > D0 17 88 54 59 01 00 00 C0 04 88 54 59 01 00 00 
{94} normal block at 0x0000015954880640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000015954880C40, 16 bytes long.
 Data: <&#160;M TY           > A0 4D 88 54 59 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000015954884DA0, 40 bytes long.
 Data: <@  TY   @  TY   > 40 0C 88 54 59 01 00 00 40 06 88 54 59 01 00 00 
{71} normal block at 0x0000015954881690, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015954881230, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000159548810F0, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015954880920, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000159548816E0, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000159548811E0, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000159548812D0, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015954880F60, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015954880BF0, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000159548809C0, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra