Task 38699970

Name test_860-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1873_1
Workunit 31640306
Created 6 Nov 2026, 10:58:19 UTC
Sent 6 Nov 2026, 10:58:28 UTC
Report deadline 11 Nov 2026, 10:58:28 UTC
Received 6 Nov 2026, 15:50:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 19 min 45 sec
CPU time 1 hours 13 min 5 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 670.60 MB
Peak swap size 2.32 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:32:09 (6124): wrapper (7.9.26016): starting
15:32:09 (6124): 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
15:32:11 (6124): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:32:11 (6124): 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
16:48:52 (6124): C:/Windows/system32/cmd.exe exited; CPU time 4385.968750
16:48:52 (6124): 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: 52735013 bytes.
Dumping objects ->
{3835177} normal block at 0x0000029066C7AB10, 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 0x0000029066C7A640, 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 0x00000290651B17C0, 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 0x00000290651B1750, 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 0x00000290651B1440, 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 0x0000029066CC2A20, 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 0x00000290651A7730, 8 bytes long.
 Data: <  &#185;f    > 00 00 B9 66 90 02 00 00 
{3833945} normal block at 0x00000290651A7E10, 8 bytes long.
 Data: <P$&#210;f    > 50 24 D2 66 90 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000290651ACCF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002906519C9C0, 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 0x00000290651B3630, 16 bytes long.
 Data: <xC e            > 78 43 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000290651B31D0, 16 bytes long.
 Data: <PC e            > 50 43 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000290651AD720, 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 0x00000290651B30E0, 16 bytes long.
 Data: <(C e            > 28 43 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000290651B3270, 16 bytes long.
 Data: < C e            > 00 43 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000290651B3AE0, 16 bytes long.
 Data: <&#216;B e            > D8 42 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000290651B3EF0, 16 bytes long.
 Data: <&#176;B e            > B0 42 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000290651B19F0, 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 0x00000290651B3590, 16 bytes long.
 Data: < &#181; e            > 18 B5 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000290651AD0C0, 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 0x00000290651B3A90, 16 bytes long.
 Data: <&#240;&#180; e            > F0 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000290651B3EA0, 16 bytes long.
 Data: <&#200;&#180; e            > C8 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000290651B3A40, 16 bytes long.
 Data: <&#160;&#180; e            > A0 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000290651B3310, 16 bytes long.
 Data: <x&#180; e            > 78 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000290651B3D10, 16 bytes long.
 Data: <P&#180; e            > 50 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000290651B3540, 16 bytes long.
 Data: <(&#180; e            > 28 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000290651AD120, 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 0x00000290651B34A0, 16 bytes long.
 Data: < &#180; e            > 00 B4 19 65 90 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002906519B400, 320 bytes long.
 Data: <&#160;4 e     &#209; e    > A0 34 1B 65 90 02 00 00 20 D1 1A 65 90 02 00 00 
{268} normal block at 0x00000290651B3090, 16 bytes long.
 Data: < B e            > 90 42 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000290651B3950, 16 bytes long.
 Data: <hB e            > 68 42 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000290651AD6C0, 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 0x00000290651B3B80, 16 bytes long.
 Data: <@B e            > 40 42 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000290651ADD20, 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 0x00000290651B3F40, 16 bytes long.
 Data: < A e            > 88 41 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000290651B38B0, 16 bytes long.
 Data: <`A e            > 60 41 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000290651B3180, 16 bytes long.
 Data: <8A e            > 38 41 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000290651B32C0, 16 bytes long.
 Data: < A e            > 10 41 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000290651B3FE0, 16 bytes long.
 Data: <&#232;@ e            > E8 40 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000290651B3130, 16 bytes long.
 Data: <&#192;@ e            > C0 40 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000290651B34F0, 16 bytes long.
 Data: <   e            > 10 19 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000290651B1910, 40 bytes long.
 Data: <&#240;4 e     *&#204;f    > F0 34 1B 65 90 02 00 00 20 2A CC 66 90 02 00 00 
{254} normal block at 0x00000290651B39A0, 16 bytes long.
 Data: <&#160;@ e            > A0 40 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000290651B3CC0, 16 bytes long.
 Data: <x@ e            > 78 40 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000290651AD000, 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 0x00000290651B3E00, 16 bytes long.
 Data: <P@ e            > 50 40 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000290651B4050, 992 bytes long.
 Data: < > e     &#208; e    > 00 3E 1B 65 90 02 00 00 00 D0 1A 65 90 02 00 00 
{86} normal block at 0x00000290651AD660, 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 0x00000290651A7A00, 16 bytes long.
 Data: <&#208;  e            > D0 1A 1B 65 90 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000290651B1AD0, 40 bytes long.
 Data: < z e    `&#214; e    > 00 7A 1A 65 90 02 00 00 60 D6 1A 65 90 02 00 00 
{63} normal block at 0x00000290651A7DC0, 16 bytes long.
 Data: < &#234;&#214;.&#247;           > 80 EA D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000290651A7140, 16 bytes long.
 Data: <@&#233;&#214;.&#247;           > 40 E9 D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000290651A7B90, 16 bytes long.
 Data: <&#248;W&#211;.&#247;           > F8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000290651A7960, 16 bytes long.
 Data: <&#216;W&#211;.&#247;           > D8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000290651A7190, 16 bytes long.
 Data: <P &#211;.&#247;           > 50 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000290651A7D70, 16 bytes long.
 Data: <0 &#211;.&#247;           > 30 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000290651A7370, 16 bytes long.
 Data: <&#224; &#211;.&#247;           > E0 02 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000290651A7B40, 16 bytes long.
 Data: <  &#211;.&#247;           > 10 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000290651A7050, 16 bytes long.
 Data: <p &#211;.&#247;           > 70 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000290651A7410, 16 bytes long.
 Data: < &#192;&#209;.&#247;           > 18 C0 D1 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra