Task 38672371

Name test_637-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0567_0
Workunit 31614519
Created 25 Oct 2026, 23:13:10 UTC
Sent 25 Oct 2026, 23:13:10 UTC
Report deadline 30 Oct 2026, 23:13:10 UTC
Received 25 Oct 2026, 23:45:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 28 min 19 sec
CPU time 25 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.55 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:16:46 (12564): wrapper (7.9.26016): starting
19:16:46 (12564): 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
19:16:47 (12564): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:16:47 (12564): 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
19:43:56 (12564): C:/Windows/system32/cmd.exe exited; CPU time 1541.390625
19:43:56 (12564): 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: 48306495 bytes.
Dumping objects ->
{3835253} normal block at 0x000001AA223F5730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001AA223F50A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001AA223F58F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000001AA223F5B90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001AA223F5A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000001AA2234CA80, 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) : {3835165} normal block at 0x000001AA206AD570, 8 bytes long.
 Data: <  &#167; &#170;   > 00 00 A7 20 AA 01 00 00 
{3833995} normal block at 0x000001AA206ACB70, 8 bytes long.
 Data: <@&#166;>"&#170;   > 40 A6 3E 22 AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x000001AA206A7F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x000001AA206A8C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x000001AA206B56F0, 16 bytes long.
 Data: <hfk &#170;           > 68 66 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000001AA206B5650, 16 bytes long.
 Data: <@fk &#170;           > 40 66 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001AA206AF5D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x000001AA206B5600, 16 bytes long.
 Data: < fk &#170;           > 18 66 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001AA206B5F10, 16 bytes long.
 Data: <&#240;ek &#170;           > F0 65 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001AA206B56A0, 16 bytes long.
 Data: <&#200;ek &#170;           > C8 65 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001AA206B59C0, 16 bytes long.
 Data: <&#160;ek &#170;           > A0 65 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001AA206AFD20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x000001AA206B5740, 16 bytes long.
 Data: < &#217;i &#170;           > 98 D9 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001AA206AEBB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x000001AA206B5EC0, 16 bytes long.
 Data: <p&#217;i &#170;           > 70 D9 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001AA206B55B0, 16 bytes long.
 Data: <H&#217;i &#170;           > 48 D9 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001AA206B5CE0, 16 bytes long.
 Data: < &#217;i &#170;           > 20 D9 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001AA206B6280, 16 bytes long.
 Data: <&#248;&#216;i &#170;           > F8 D8 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AA206B60A0, 16 bytes long.
 Data: <&#208;&#216;i &#170;           > D0 D8 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AA206B5E70, 16 bytes long.
 Data: <&#168;&#216;i &#170;           > A8 D8 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AA206AF750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x000001AA206B5A60, 16 bytes long.
 Data: < &#216;i &#170;           > 80 D8 69 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AA2069D880, 320 bytes long.
 Data: <`Zk &#170;   P&#247;j &#170;   > 60 5A 6B 20 AA 01 00 00 50 F7 6A 20 AA 01 00 00 
{293} normal block at 0x000001AA206B5AB0, 16 bytes long.
 Data: < ek &#170;           > 80 65 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AA206B5970, 16 bytes long.
 Data: <Xek &#170;           > 58 65 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AA206AF330, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x000001AA206B5920, 16 bytes long.
 Data: <0ek &#170;           > 30 65 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AA206AF450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x000001AA206B6230, 16 bytes long.
 Data: <xdk &#170;           > 78 64 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AA206B5380, 16 bytes long.
 Data: <Pdk &#170;           > 50 64 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AA206B5DD0, 16 bytes long.
 Data: <(dk &#170;           > 28 64 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AA206B5560, 16 bytes long.
 Data: < dk &#170;           > 00 64 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AA206B5790, 16 bytes long.
 Data: <&#216;ck &#170;           > D8 63 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AA206B61E0, 16 bytes long.
 Data: <&#176;ck &#170;           > B0 63 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AA206B5880, 16 bytes long.
 Data: <&#176;&#252;j &#170;           > B0 FC 6A 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AA206AFCB0, 40 bytes long.
 Data: < Xk &#170;    &#202;4"&#170;   > 80 58 6B 20 AA 01 00 00 80 CA 34 22 AA 01 00 00 
{279} normal block at 0x000001AA206B6050, 16 bytes long.
 Data: < ck &#170;           > 90 63 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AA206B54C0, 16 bytes long.
 Data: <hck &#170;           > 68 63 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AA206AF390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x000001AA206B5C90, 16 bytes long.
 Data: <@ck &#170;           > 40 63 6B 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AA206B6340, 992 bytes long.
 Data: < \k &#170;    &#243;j &#170;   > 90 5C 6B 20 AA 01 00 00 90 F3 6A 20 AA 01 00 00 
{111} normal block at 0x000001AA206AE970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x000001AA206ACE90, 16 bytes long.
 Data: <P&#255;j &#170;           > 50 FF 6A 20 AA 01 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x000001AA206AFF50, 40 bytes long.
 Data: < &#206;j &#170;   p&#233;j &#170;   > 90 CE 6A 20 AA 01 00 00 70 E9 6A 20 AA 01 00 00 
{88} normal block at 0x000001AA206AD070, 16 bytes long.
 Data: < &#234;&#198;&#220;&#246;           > 80 EA C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001AA206ACB20, 16 bytes long.
 Data: <@&#233;&#198;&#220;&#246;           > 40 E9 C6 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001AA206AD7F0, 16 bytes long.
 Data: <&#248;W&#195;&#220;&#246;           > F8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001AA206AD660, 16 bytes long.
 Data: <&#216;W&#195;&#220;&#246;           > D8 57 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001AA206AC940, 16 bytes long.
 Data: <P &#195;&#220;&#246;           > 50 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001AA206AD160, 16 bytes long.
 Data: <0 &#195;&#220;&#246;           > 30 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001AA206ACA30, 16 bytes long.
 Data: <&#224; &#195;&#220;&#246;           > E0 02 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001AA206ACD00, 16 bytes long.
 Data: <  &#195;&#220;&#246;           > 10 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001AA206AD390, 16 bytes long.
 Data: <p &#195;&#220;&#246;           > 70 04 C3 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001AA206ACAD0, 16 bytes long.
 Data: < &#192;&#193;&#220;&#246;           > 18 C0 C1 DC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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