Task 38684143

Name test_95-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1486_0
Workunit 31625664
Created 27 Oct 2026, 14:53:26 UTC
Sent 27 Oct 2026, 14:53:29 UTC
Report deadline 1 Nov 2026, 14:53:29 UTC
Received 27 Oct 2026, 18:27:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 36 min 57 sec
CPU time 34 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.58 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
18:51:32 (11544): wrapper (7.9.26016): starting
18:51:32 (11544): 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
18:51:33 (11544): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:51:33 (11544): 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\6\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\6\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
19:26:55 (11544): C:/Windows/system32/cmd.exe exited; CPU time 2089.281250
19:26:55 (11544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 36267963 bytes.
Dumping objects ->
{3835240} normal block at 0x0000018B85C74280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000018B85C742F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000018B85C74440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000018B85C74670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000018B85C741A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000018B878C3540, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000018B85CCC840, 144 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) : {3835151} normal block at 0x0000018B85C6E570, 8 bytes long.
 Data: <  &#196;&#133;&#139;   > 00 00 C4 85 8B 01 00 00 
{3834552} normal block at 0x0000018B85CCD060, 144 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 0x0000018B85C6DFD0, 8 bytes long.
 Data: <&#224; &#204;&#133;&#139;   > E0 12 CC 85 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018B85C702C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018B85C65500, 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 0x0000018B85C757F0, 16 bytes long.
 Data: <(^&#199;&#133;&#139;           > 28 5E C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018B85C74D00, 16 bytes long.
 Data: < ^&#199;&#133;&#139;           > 00 5E C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018B85C6F330, 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 0x0000018B85C757A0, 16 bytes long.
 Data: <&#216;]&#199;&#133;&#139;           > D8 5D C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018B85C74F80, 16 bytes long.
 Data: <&#176;]&#199;&#133;&#139;           > B0 5D C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018B85C74E40, 16 bytes long.
 Data: < ]&#199;&#133;&#139;           > 88 5D C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018B85C753E0, 16 bytes long.
 Data: <`]&#199;&#133;&#139;           > 60 5D C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018B85C74520, 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 0x0000018B85C74A80, 16 bytes long.
 Data: <H&#180;&#197;&#133;&#139;           > 48 B4 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018B85C6F870, 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 0x0000018B85C75750, 16 bytes long.
 Data: < &#180;&#197;&#133;&#139;           > 20 B4 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018B85C75520, 16 bytes long.
 Data: <&#248;&#179;&#197;&#133;&#139;           > F8 B3 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018B85C74EE0, 16 bytes long.
 Data: <&#208;&#179;&#197;&#133;&#139;           > D0 B3 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018B85C75700, 16 bytes long.
 Data: <&#168;&#179;&#197;&#133;&#139;           > A8 B3 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018B85C75340, 16 bytes long.
 Data: < &#179;&#197;&#133;&#139;           > 80 B3 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018B85C749E0, 16 bytes long.
 Data: <X&#179;&#197;&#133;&#139;           > 58 B3 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018B85C6F4B0, 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 0x0000018B85C756B0, 16 bytes long.
 Data: <0&#179;&#197;&#133;&#139;           > 30 B3 C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018B85C5B330, 320 bytes long.
 Data: <&#176;V&#199;&#133;&#139;   &#176;&#244;&#198;&#133;&#139;   > B0 56 C7 85 8B 01 00 00 B0 F4 C6 85 8B 01 00 00 
{274} normal block at 0x0000018B85C74C10, 16 bytes long.
 Data: <@]&#199;&#133;&#139;           > 40 5D C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018B85C752F0, 16 bytes long.
 Data: < ]&#199;&#133;&#139;           > 18 5D C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018B85C6F0F0, 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 0x0000018B85C75660, 16 bytes long.
 Data: <&#240;\&#199;&#133;&#139;           > F0 5C C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018B85C6F8D0, 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 0x0000018B85C75110, 16 bytes long.
 Data: <8\&#199;&#133;&#139;           > 38 5C C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018B85C758E0, 16 bytes long.
 Data: < \&#199;&#133;&#139;           > 10 5C C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018B85C75200, 16 bytes long.
 Data: <&#232;[&#199;&#133;&#139;           > E8 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018B85C75610, 16 bytes long.
 Data: <&#192;[&#199;&#133;&#139;           > C0 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018B85C74BC0, 16 bytes long.
 Data: < [&#199;&#133;&#139;           > 98 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018B85C752A0, 16 bytes long.
 Data: <p[&#199;&#133;&#139;           > 70 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018B85C75570, 16 bytes long.
 Data: <PG&#199;&#133;&#139;           > 50 47 C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018B85C74750, 40 bytes long.
 Data: <pU&#199;&#133;&#139;   @5&#140;&#135;&#139;   > 70 55 C7 85 8B 01 00 00 40 35 8C 87 8B 01 00 00 
{260} normal block at 0x0000018B85C74F30, 16 bytes long.
 Data: <P[&#199;&#133;&#139;           > 50 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018B85C75160, 16 bytes long.
 Data: <([&#199;&#133;&#139;           > 28 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018B85C6ED90, 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 0x0000018B85C74CB0, 16 bytes long.
 Data: < [&#199;&#133;&#139;           > 00 5B C7 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018B85C75B00, 992 bytes long.
 Data: <&#176;L&#199;&#133;&#139;    &#237;&#198;&#133;&#139;   > B0 4C C7 85 8B 01 00 00 90 ED C6 85 8B 01 00 00 
{92} normal block at 0x0000018B85C6F630, 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 0x0000018B85C6EA70, 16 bytes long.
 Data: < &#222;&#197;&#133;&#139;           > 80 DE C5 85 8B 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018B85C5DE80, 40 bytes long.
 Data: <p&#234;&#198;&#133;&#139;   0&#246;&#198;&#133;&#139;   > 70 EA C6 85 8B 01 00 00 30 F6 C6 85 8B 01 00 00 
{69} normal block at 0x0000018B85C6DCB0, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018B85C6E390, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018B85C6E980, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018B85C6E930, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018B85C6E8E0, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018B85C6E480, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018B85C6EA20, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018B85C6E2A0, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018B85C6E6B0, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018B85C6EB60, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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