Task 38661597

Name test_380-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8931_2
Workunit 31604287
Created 24 Oct 2026, 16:00:47 UTC
Sent 24 Oct 2026, 16:07:05 UTC
Report deadline 29 Oct 2026, 16:07:05 UTC
Received 24 Oct 2026, 16:35:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 19 min 30 sec
CPU time 16 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.66 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:12:58 (17440): wrapper (7.9.26016): starting
12:12:58 (17440): 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
12:12:59 (17440): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:12:59 (17440): 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
12:31:39 (17440): C:/Windows/system32/cmd.exe exited; CPU time 1004.828125
12:31:39 (17440): 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: 19418479 bytes.
Dumping objects ->
{3835210} normal block at 0x00000255756EC810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x00000255756EC570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x00000255756ECB90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835177} normal block at 0x00000255739946A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000025573994A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835135} normal block at 0x0000025575734C60, 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) : {3835122} normal block at 0x0000025573990810, 8 bytes long.
 Data: <  &#228;sU   > 00 00 E4 73 55 02 00 00 
{3833959} normal block at 0x0000025573990A40, 8 bytes long.
 Data: < JnuU   > 10 4A 6E 75 55 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025573986CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025573980150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000025573995850, 16 bytes long.
 Data: <8T sU           > 38 54 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025573995E90, 16 bytes long.
 Data: < T sU           > 10 54 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002557398FCE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000025573995670, 16 bytes long.
 Data: <&#232;S sU           > E8 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025573995620, 16 bytes long.
 Data: <&#192;S sU           > C0 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025573995E40, 16 bytes long.
 Data: < S sU           > 98 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025573995800, 16 bytes long.
 Data: <pS sU           > 70 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025573994B70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000025573996020, 16 bytes long.
 Data: <x&#248;&#151;sU           > 78 F8 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025573990280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000255739956C0, 16 bytes long.
 Data: <P&#248;&#151;sU           > 50 F8 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000255739961B0, 16 bytes long.
 Data: <(&#248;&#151;sU           > 28 F8 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000255739957B0, 16 bytes long.
 Data: < &#248;&#151;sU           > 00 F8 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025573995BC0, 16 bytes long.
 Data: <&#216;&#247;&#151;sU           > D8 F7 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025573995760, 16 bytes long.
 Data: <&#176;&#247;&#151;sU           > B0 F7 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000255739964D0, 16 bytes long.
 Data: < &#247;&#151;sU           > 88 F7 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002557398F7A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000025573995B70, 16 bytes long.
 Data: <`&#247;&#151;sU           > 60 F7 97 73 55 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002557397F760, 320 bytes long.
 Data: <p[ sU   &#160;&#247; sU   > 70 5B 99 73 55 02 00 00 A0 F7 98 73 55 02 00 00 
{275} normal block at 0x0000025573995F30, 16 bytes long.
 Data: <PS sU           > 50 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025573995CB0, 16 bytes long.
 Data: <(S sU           > 28 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025573990220, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000025573995DF0, 16 bytes long.
 Data: < S sU           > 00 53 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000255739901C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000025573995940, 16 bytes long.
 Data: <HR sU           > 48 52 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025573996160, 16 bytes long.
 Data: < R sU           > 20 52 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025573995C60, 16 bytes long.
 Data: <&#248;Q sU           > F8 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000255739955D0, 16 bytes long.
 Data: <&#208;Q sU           > D0 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025573991300, 16 bytes long.
 Data: <&#168;Q sU           > A8 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000255739910D0, 16 bytes long.
 Data: < Q sU           > 80 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025573991080, 16 bytes long.
 Data: < K sU           > 00 4B 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025573994B00, 40 bytes long.
 Data: <   sU   `LsuU   > 80 10 99 73 55 02 00 00 60 4C 73 75 55 02 00 00 
{261} normal block at 0x0000025573990CC0, 16 bytes long.
 Data: <`Q sU           > 60 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025573990900, 16 bytes long.
 Data: <8Q sU           > 38 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002557398FE60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000255739908B0, 16 bytes long.
 Data: < Q sU           > 10 51 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025573995110, 992 bytes long.
 Data: <&#176;  sU   `&#254; sU   > B0 08 99 73 55 02 00 00 60 FE 98 73 55 02 00 00 
{93} normal block at 0x000002557398FDA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000025573990630, 16 bytes long.
 Data: < G sU           > 80 47 99 73 55 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025573994780, 40 bytes long.
 Data: <0  sU   &#160;&#253; sU   > 30 06 99 73 55 02 00 00 A0 FD 98 73 55 02 00 00 
{70} normal block at 0x0000025573991210, 16 bytes long.
 Data: < &#234;D&#137;&#247;           > 80 EA 44 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025573990680, 16 bytes long.
 Data: <@&#233;D&#137;&#247;           > 40 E9 44 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025573991580, 16 bytes long.
 Data: <&#248;WA&#137;&#247;           > F8 57 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025573990E00, 16 bytes long.
 Data: <&#216;WA&#137;&#247;           > D8 57 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000255739911C0, 16 bytes long.
 Data: <P A&#137;&#247;           > 50 04 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000255739909A0, 16 bytes long.
 Data: <0 A&#137;&#247;           > 30 04 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025573991350, 16 bytes long.
 Data: <&#224; A&#137;&#247;           > E0 02 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025573990D60, 16 bytes long.
 Data: <  A&#137;&#247;           > 10 04 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025573990720, 16 bytes long.
 Data: <p A&#137;&#247;           > 70 04 41 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000255739914E0, 16 bytes long.
 Data: < &#192;?&#137;&#247;           > 18 C0 3F 89 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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