Task 38685634

Name test_107-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5431_0
Workunit 31627095
Created 27 Oct 2026, 22:09:34 UTC
Sent 27 Oct 2026, 22:09:40 UTC
Report deadline 1 Nov 2026, 22:09:40 UTC
Received 27 Oct 2026, 23:17:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 33 min 33 sec
CPU time 32 min 43 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 742.66 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:44:26 (21864): wrapper (7.9.26016): starting
17:44:26 (21864): 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
17:44:27 (21864): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:44:27 (21864): 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: Exiting with failure status due to previous errors
18:17:27 (21864): C:/Windows/system32/cmd.exe exited; CPU time 1963.609375
18:17:27 (21864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 28555227 bytes.
Dumping objects ->
{3835546} normal block at 0x000002350B2D3810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002350B206020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000002350B2066B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000002350B206640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002350B206560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000002350CFDCFC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002350CFEFCC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835457} normal block at 0x000002350B1FF970, 8 bytes long.
 Data: <  x 5   > 00 00 78 0B 35 02 00 00 
{3834682} normal block at 0x000002350CFF0240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002350B1FF2E0, 8 bytes long.
 Data: <&#208;&#234;- 5   > D0 EA 2D 0B 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002350B201530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002350B1ECCE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002350B207110, 16 bytes long.
 Data: <&#200;|  5           > C8 7C 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002350B2075C0, 16 bytes long.
 Data: <&#160;|  5           > A0 7C 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002350B1FFD80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002350B206D50, 16 bytes long.
 Data: <x|  5           > 78 7C 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002350B206A80, 16 bytes long.
 Data: <P|  5           > 50 7C 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002350B207890, 16 bytes long.
 Data: <(|  5           > 28 7C 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002350B2077F0, 16 bytes long.
 Data: < |  5           > 00 7C 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002350B2065D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002350B207480, 16 bytes long.
 Data: <8&#150;  5           > 38 96 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002350B1FFF00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002350B207250, 16 bytes long.
 Data: < &#150;  5           > 10 96 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002350B206F80, 16 bytes long.
 Data: <&#232;&#149;  5           > E8 95 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002350B2077A0, 16 bytes long.
 Data: <&#192;&#149;  5           > C0 95 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002350B207430, 16 bytes long.
 Data: < &#149;  5           > 98 95 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002350B207020, 16 bytes long.
 Data: <p&#149;  5           > 70 95 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002350B207200, 16 bytes long.
 Data: <H&#149;  5           > 48 95 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002350B200380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002350B206E90, 16 bytes long.
 Data: < &#149;  5           > 20 95 1F 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002350B1F9520, 320 bytes long.
 Data: < n  5       5   > 90 6E 20 0B 35 02 00 00 80 03 20 0B 35 02 00 00 
{274} normal block at 0x000002350B207570, 16 bytes long.
 Data: <&#224;{  5           > E0 7B 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002350B2073E0, 16 bytes long.
 Data: <&#184;{  5           > B8 7B 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002350B200A40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002350B207750, 16 bytes long.
 Data: < {  5           > 90 7B 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002350B200860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002350B206B70, 16 bytes long.
 Data: <&#216;z  5           > D8 7A 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002350B207930, 16 bytes long.
 Data: <&#176;z  5           > B0 7A 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002350B206D00, 16 bytes long.
 Data: < z  5           > 88 7A 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002350B207520, 16 bytes long.
 Data: <`z  5           > 60 7A 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002350B2078E0, 16 bytes long.
 Data: <8z  5           > 38 7A 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002350B2072A0, 16 bytes long.
 Data: < z  5           > 10 7A 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002350B206B20, 16 bytes long.
 Data: < `  5           > 90 60 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002350B206090, 40 bytes long.
 Data: < k  5   &#192;&#207;&#253; 5   > 20 6B 20 0B 35 02 00 00 C0 CF FD 0C 35 02 00 00 
{260} normal block at 0x000002350B2074D0, 16 bytes long.
 Data: <&#240;y  5           > F0 79 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002350B207610, 16 bytes long.
 Data: <&#200;y  5           > C8 79 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002350B200B00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002350B207700, 16 bytes long.
 Data: <&#160;y  5           > A0 79 20 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002350B2079A0, 992 bytes long.
 Data: < w  5       5   > 00 77 20 0B 35 02 00 00 00 0B 20 0B 35 02 00 00 
{92} normal block at 0x000002350B2007A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002350B1FEDE0, 16 bytes long.
 Data: <&#208;&#213;  5           > D0 D5 1E 0B 35 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002350B1ED5D0, 40 bytes long.
 Data: <&#224;&#237;  5   &#160;   5   > E0 ED 1F 0B 35 02 00 00 A0 07 20 0B 35 02 00 00 
{69} normal block at 0x000002350B1FED40, 16 bytes long.
 Data: < &#234;&#159;&#186;&#246;           > 80 EA 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002350B1FF010, 16 bytes long.
 Data: <@&#233;&#159;&#186;&#246;           > 40 E9 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002350B1FF3D0, 16 bytes long.
 Data: <&#248;W&#156;&#186;&#246;           > F8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002350B1FEE80, 16 bytes long.
 Data: <&#216;W&#156;&#186;&#246;           > D8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002350B1FEE30, 16 bytes long.
 Data: <P &#156;&#186;&#246;           > 50 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002350B1FF8D0, 16 bytes long.
 Data: <0 &#156;&#186;&#246;           > 30 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002350B1FECA0, 16 bytes long.
 Data: <&#224; &#156;&#186;&#246;           > E0 02 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002350B1FF290, 16 bytes long.
 Data: <  &#156;&#186;&#246;           > 10 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002350B1FFB00, 16 bytes long.
 Data: <p &#156;&#186;&#246;           > 70 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002350B1FFBA0, 16 bytes long.
 Data: < &#192;&#154;&#186;&#246;           > 18 C0 9A BA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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